1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile

C12H14N4 — CID 84621917

IUPAC1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
SMILESCNCCc1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C12H14N4/c1-14-6-5-12-15-10-7-9(8-13)3-4-11(10)16(12)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJTEQPKPOXLYRRE-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile

1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile (PubChem CID 84621917) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
PubChem CID84621917
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
SMILESCNCCc1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C12H14N4/c1-14-6-5-12-15-10-7-9(8-13)3-4-11(10)16(12)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJTEQPKPOXLYRRE-UHFFFAOYSA-N
XLogP1.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-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

1-methyl-2-(2-propoxyethyl)benzimidazole-5-carbonitrile
CID 65035097
1-methyl-2-(2,2,2-trifluoroethyl)benzimidazole-5-carbonitrile
CID 65035685
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
CID 65035576
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
2-amino-3-(5-cyano-1-methylbenzimidazol-2-yl)propanoic acid
CID 83440746
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
1-chloro-2-ethylbenzimidazole-5-carbonitrile
CID 141051765
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
CID 104712740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile (CID 84621917) is 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile is CNCCc1nc2cc(C#N)ccc2n1C.
What is the InChIKey of 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile?
The InChIKey is JTEQPKPOXLYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-14-6-5-12-15-10-7-9(8-13)3-4-11(10)16(12)2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile?
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 84621917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).