KBU

4-chloro-1H-benzimidazole

Created:	2023-08-10
Last modified:	2024-05-29

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3 entries where KBU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of KBU

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Chemical Component Summary
Name	4-chloro-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	4-chloranyl-1~{H}-benzimidazole
Formula	C₇ H₅ Cl N₂
Molecular Weight	152.581
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc2[NH]cnc21
SMILES	CACTVS	3.385	Clc1cccc2[nH]cnc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)nc[nH]2
Canonical SMILES	CACTVS	3.385	Clc1cccc2[nH]cnc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)nc[nH]2
InChI	InChI	1.06	InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey	InChI	1.06	RPYPMOKNVPZWKZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12693244

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.