2-chloro-1-phenylbenzimidazole

C13H9ClN2 — CID 12675133

IUPAC2-chloro-1-phenylbenzimidazole
SMILESClc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H
InChIKeyJZMUUDCDJJOJSW-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.68
Rot. Bonds1

About 2-chloro-1-phenylbenzimidazole

2-chloro-1-phenylbenzimidazole (PubChem CID 12675133) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-chloro-1-phenylbenzimidazole
PubChem CID12675133
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name2-chloro-1-phenylbenzimidazole
SMILESClc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H
InChIKeyJZMUUDCDJJOJSW-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68907266
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CID 44622931
2-bromo-1-phenylbenzimidazole
CID 84810012
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
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2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
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1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811
1-phenyl-2-(2H-pyridin-1-yl)benzimidazole
CID 141194917
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
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CID 129257071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenylbenzimidazole?
The IUPAC name of 2-chloro-1-phenylbenzimidazole (CID 12675133) is 2-chloro-1-phenylbenzimidazole.
What is the SMILES notation for 2-chloro-1-phenylbenzimidazole?
The canonical SMILES for 2-chloro-1-phenylbenzimidazole is Clc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-chloro-1-phenylbenzimidazole?
The InChIKey is JZMUUDCDJJOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-chloro-1-phenylbenzimidazole?
2-chloro-1-phenylbenzimidazole has a molecular weight of 228.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenylbenzimidazole is sourced from PubChem (CID 12675133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).