4-(2-chlorobenzimidazol-1-yl)benzonitrile

C14H8ClN3 — CID 68907266

IUPAC4-(2-chlorobenzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H8ClN3/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-5-10(9-16)6-8-11/h1-8H
InChIKeyJEFRTAFDTXPXRF-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.55
Rot. Bonds1

About 4-(2-chlorobenzimidazol-1-yl)benzonitrile

4-(2-chlorobenzimidazol-1-yl)benzonitrile (PubChem CID 68907266) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-(2-chlorobenzimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-chlorobenzimidazol-1-yl)benzonitrile
PubChem CID68907266
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name4-(2-chlorobenzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H8ClN3/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-5-10(9-16)6-8-11/h1-8H
InChIKeyJEFRTAFDTXPXRF-UHFFFAOYSA-N
XLogP3.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-phenylbenzimidazole
CID 12675133
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
3-(2-chlorobenzimidazol-1-yl)phenol
CID 84802691
1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
CID 146004053
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488060
4-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488066
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 115470947
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzimidazol-1-yl)benzonitrile?
The IUPAC name of 4-(2-chlorobenzimidazol-1-yl)benzonitrile (CID 68907266) is 4-(2-chlorobenzimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-chlorobenzimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-(2-chlorobenzimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2c(Cl)nc3ccccc32)cc1.
What is the InChIKey of 4-(2-chlorobenzimidazol-1-yl)benzonitrile?
The InChIKey is JEFRTAFDTXPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-5-10(9-16)6-8-11/h1-8H.
What are the key properties of 4-(2-chlorobenzimidazol-1-yl)benzonitrile?
4-(2-chlorobenzimidazol-1-yl)benzonitrile has a molecular weight of 253.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzimidazol-1-yl)benzonitrile is sourced from PubChem (CID 68907266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).