2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

C15H9BrClN3 — CID 107941806

IUPAC2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2cc(Cl)cc(Br)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H9BrClN3/c1-20-14-3-2-9(8-18)4-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3
InChIKeyQLYYFOTUXPIGJX-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.53
Rot. Bonds1

About 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 107941806) has the molecular formula C15H9BrClN3 and a molecular weight of 346.62 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID107941806
Molecular FormulaC15H9BrClN3
Molecular Weight346.62 g/mol
Exact Mass344.97
IUPAC Name2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2cc(Cl)cc(Br)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H9BrClN3/c1-20-14-3-2-9(8-18)4-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3
InChIKeyQLYYFOTUXPIGJX-UHFFFAOYSA-N
XLogP4.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-chlorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 107941809
2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 82879135
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65035683
1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79807966

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (CID 107941806) is 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is Cn1c(-c2cc(Cl)cc(Br)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is QLYYFOTUXPIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3/c1-20-14-3-2-9(8-18)4-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 346.62 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 107941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).