1-benzyl-2-chlorobenzimidazole

C14H11ClN2 — CID 3821987

IUPAC1-benzyl-2-chlorobenzimidazole
SMILESClc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPVLIRTAXXPPHCJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

About 1-benzyl-2-chlorobenzimidazole

1-benzyl-2-chlorobenzimidazole (PubChem CID 3821987) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-benzyl-2-chlorobenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-chlorobenzimidazole
PubChem CID3821987
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-benzyl-2-chlorobenzimidazole
SMILESClc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPVLIRTAXXPPHCJ-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
CID 45276591
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-benzylbenzimidazole-2-carbonitrile
CID 15363638
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-2-propylbenzimidazole
CID 764560
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-chlorobenzimidazole?
The IUPAC name of 1-benzyl-2-chlorobenzimidazole (CID 3821987) is 1-benzyl-2-chlorobenzimidazole.
What is the SMILES notation for 1-benzyl-2-chlorobenzimidazole?
The canonical SMILES for 1-benzyl-2-chlorobenzimidazole is Clc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-chlorobenzimidazole?
The InChIKey is PVLIRTAXXPPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzyl-2-chlorobenzimidazole?
1-benzyl-2-chlorobenzimidazole has a molecular weight of 242.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-chlorobenzimidazole is sourced from PubChem (CID 3821987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).