3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile

C11H12N4 — CID 84619675

IUPAC3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
SMILESCNCc1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C11H12N4/c1-13-7-11-14-9-4-3-8(6-12)5-10(9)15(11)2/h3-5,13H,7H2,1-2H3
InChIKeyUHOWXDGTCKQICY-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.16
Rot. Bonds2

About 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile

3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile (PubChem CID 84619675) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
PubChem CID84619675
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
SMILESCNCc1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C11H12N4/c1-13-7-11-14-9-4-3-8(6-12)5-10(9)15(11)2/h3-5,13H,7H2,1-2H3
InChIKeyUHOWXDGTCKQICY-UHFFFAOYSA-N
XLogP1.16
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
CID 104712740
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile
CID 103213093
3-methyl-2-(2-phenoxyethyl)benzimidazole-5-carbonitrile
CID 104712639
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile (CID 84619675) is 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile is CNCc1nc2ccc(C#N)cc2n1C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile?
The InChIKey is UHOWXDGTCKQICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-13-7-11-14-9-4-3-8(6-12)5-10(9)15(11)2/h3-5,13H,7H2,1-2H3.
What are the key properties of 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile?
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 84619675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).