2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile

C15H10BrN3 — CID 104712321

IUPAC2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccccc2Br)nc2ccc(C#N)cc21
InChIInChI=1S/C15H10BrN3/c1-19-14-8-10(9-17)6-7-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyJNPIWLWWJDEUJF-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.87
Rot. Bonds1

About 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile

2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712321) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712321
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccccc2Br)nc2ccc(C#N)cc21
InChIInChI=1S/C15H10BrN3/c1-19-14-8-10(9-17)6-7-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyJNPIWLWWJDEUJF-UHFFFAOYSA-N
XLogP3.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444304

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712321) is 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccccc2Br)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is JNPIWLWWJDEUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c1-19-14-8-10(9-17)6-7-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3.
What are the key properties of 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile?
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 312.17 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).