2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile

C15H9Br2N3 — CID 107941821

IUPAC2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(Br)cc2Br)nc2c(C#N)cccc21
InChIInChI=1S/C15H9Br2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,1H3
InChIKeyXOFQSYJBHQQVIO-UHFFFAOYSA-N
MW391.07 g/mol
LogP4.64
Rot. Bonds1

About 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile

2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 107941821) has the molecular formula C15H9Br2N3 and a molecular weight of 391.07 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID107941821
Molecular FormulaC15H9Br2N3
Molecular Weight391.07 g/mol
Exact Mass388.92
IUPAC Name2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(Br)cc2Br)nc2c(C#N)cccc21
InChIInChI=1S/C15H9Br2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,1H3
InChIKeyXOFQSYJBHQQVIO-UHFFFAOYSA-N
XLogP4.64
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720772
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
CID 102811455
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile (CID 107941821) is 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2ccc(Br)cc2Br)nc2c(C#N)cccc21.
What is the InChIKey of 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is XOFQSYJBHQQVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,1H3.
What are the key properties of 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile?
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 391.07 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 107941821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).