2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile

C13H8BrN3S — CID 113445205

IUPAC2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(Br)s2)nc2c(C#N)cccc21
InChIInChI=1S/C13H8BrN3S/c1-17-9-4-2-3-8(7-15)12(9)16-13(17)10-5-6-11(14)18-10/h2-6H,1H3
InChIKeyGVMYBBBWKJPTFJ-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.94
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile

2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 113445205) has the molecular formula C13H8BrN3S and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID113445205
Molecular FormulaC13H8BrN3S
Molecular Weight318.20 g/mol
Exact Mass316.96
IUPAC Name2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(Br)s2)nc2c(C#N)cccc21
InChIInChI=1S/C13H8BrN3S/c1-17-9-4-2-3-8(7-15)12(9)16-13(17)10-5-6-11(14)18-10/h2-6H,1H3
InChIKeyGVMYBBBWKJPTFJ-UHFFFAOYSA-N
XLogP3.94
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 104720792
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(4-bromo-2-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720772
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile (CID 113445205) is 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2ccc(Br)s2)nc2c(C#N)cccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is GVMYBBBWKJPTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3S/c1-17-9-4-2-3-8(7-15)12(9)16-13(17)10-5-6-11(14)18-10/h2-6H,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile?
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 318.20 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 113445205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).