2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile

C14H14N6 — CID 63641020

IUPAC2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CCn1cc(N)cn1
InChIInChI=1S/C14H14N6/c15-6-5-14-18-12-3-1-2-4-13(12)20(14)8-7-19-10-11(16)9-17-19/h1-4,9-10H,5,7-8,16H2
InChIKeyUNHPTWWIJZMILZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile

2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63641020) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
PubChem CID63641020
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CCn1cc(N)cn1
InChIInChI=1S/C14H14N6/c15-6-5-14-18-12-3-1-2-4-13(12)20(14)8-7-19-10-11(16)9-17-19/h1-4,9-10H,5,7-8,16H2
InChIKeyUNHPTWWIJZMILZ-UHFFFAOYSA-N
XLogP1.58
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile 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-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
CID 62138265
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254930
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
CID 61285753
2-[1-[(3-amino-5-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 103350130
1-(2-indol-1-ylethyl)pyrazol-4-amine
CID 62138266
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile (CID 63641020) is 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1CCn1cc(N)cn1.
What is the InChIKey of 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is UNHPTWWIJZMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-6-5-14-18-12-3-1-2-4-13(12)20(14)8-7-19-10-11(16)9-17-19/h1-4,9-10H,5,7-8,16H2.
What are the key properties of 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile?
2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63641020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).