2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile

C17H14BrN3 — CID 65309133

IUPAC2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cc(Br)ccc2C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H14BrN3/c1-3-21-16-7-5-12(10-19)8-15(16)20-17(21)14-9-13(18)6-4-11(14)2/h4-9H,3H2,1-2H3
InChIKeyWVUHMDUSVOAUKS-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.67
Rot. Bonds2

About 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile

2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile (PubChem CID 65309133) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
PubChem CID65309133
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cc(Br)ccc2C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H14BrN3/c1-3-21-16-7-5-12(10-19)8-15(16)20-17(21)14-9-13(18)6-4-11(14)2/h4-9H,3H2,1-2H3
InChIKeyWVUHMDUSVOAUKS-UHFFFAOYSA-N
XLogP4.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile (CID 65309133) is 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile is CCn1c(-c2cc(Br)ccc2C)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile?
The InChIKey is WVUHMDUSVOAUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c1-3-21-16-7-5-12(10-19)8-15(16)20-17(21)14-9-13(18)6-4-11(14)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile?
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile has a molecular weight of 340.22 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65309133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).