2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile

C14H16N4 — CID 84629734

IUPAC2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(CCNC2CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-8-10(9-15)2-5-12(13)17-14(18)6-7-16-11-3-4-11/h2,5,8,11,16H,3-4,6-7H2,1H3
InChIKeySAOLBBONZRJLRQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.74
Rot. Bonds4

About 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile

2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile (PubChem CID 84629734) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
PubChem CID84629734
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(CCNC2CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-8-10(9-15)2-5-12(13)17-14(18)6-7-16-11-3-4-11/h2,5,8,11,16H,3-4,6-7H2,1H3
InChIKeySAOLBBONZRJLRQ-UHFFFAOYSA-N
XLogP1.74
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-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

2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
CID 104712740
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712269
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-phenoxyethyl)benzimidazole-5-carbonitrile
CID 104712639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile (CID 84629734) is 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile is Cn1c(CCNC2CC2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is SAOLBBONZRJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-13-8-10(9-15)2-5-12(13)17-14(18)6-7-16-11-3-4-11/h2,5,8,11,16H,3-4,6-7H2,1H3.
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile?
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 84629734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).