2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile

C19H15N5 — CID 71450628

IUPAC2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(Cc2nc3ccccc3[nH]2)c1N
InChIInChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23)
InChIKeyQLQQXNCULFMERS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.53
Rot. Bonds3

About 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile

2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile (PubChem CID 71450628) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile
PubChem CID71450628
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(Cc2nc3ccccc3[nH]2)c1N
InChIInChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23)
InChIKeyQLQQXNCULFMERS-UHFFFAOYSA-N
XLogP3.53
TPSA83.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-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-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
1-(1H-benzimidazol-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 2382016
2-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitrobenzonitrile
CID 51429599
2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methylpyridine-3-carbonitrile;hydrochloride
CID 163329153
4-(1H-benzimidazol-2-ylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile
CID 4919937
6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
CID 166593663
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide
CID 129451130
1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
CID 50878272
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
1H-benzimidazole-2-carbonitrile
CID 843858

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile (CID 71450628) is 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2)n(Cc2nc3ccccc3[nH]2)c1N.
What is the InChIKey of 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile?
The InChIKey is QLQQXNCULFMERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23).
What are the key properties of 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile?
2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 71450628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).