2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile

C14H18N4 — CID 115234056

IUPAC2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
SMILESCn1cnc2cc(CNCC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,8-15)9-16-7-11-4-5-13-12(6-11)17-10-18(13)3/h4-6,10,16H,7,9H2,1-3H3
InChIKeyVDBCLQYXAGCCSK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds4

About 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile

2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile (PubChem CID 115234056) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
PubChem CID115234056
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
SMILESCn1cnc2cc(CNCC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,8-15)9-16-7-11-4-5-13-12(6-11)17-10-18(13)3/h4-6,10,16H,7,9H2,1-3H3
InChIKeyVDBCLQYXAGCCSK-UHFFFAOYSA-N
XLogP2.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile 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-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
CID 115131551
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622
1-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115199334
3-[(3,4-dibromophenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587331
2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
CID 115202593
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile (CID 115234056) is 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile is Cn1cnc2cc(CNCC(C)(C)C#N)ccc21.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile?
The InChIKey is VDBCLQYXAGCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,8-15)9-16-7-11-4-5-13-12(6-11)17-10-18(13)3/h4-6,10,16H,7,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile?
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile has a molecular weight of 242.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile is sourced from PubChem (CID 115234056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).