2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

C20H22N4O — CID 51137873

IUPAC2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(CN2CC[C@H](c3nc4c(C(N)=O)cccc4[nH]3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-13-5-7-14(8-6-13)11-24-10-9-15(12-24)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,15H,9-12H2,1H3,(H2,21,25)(H,22,23)/t15-/m0/s1
InChIKeyKAURJZJJMPVPAS-HNNXBMFYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 51137873) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID51137873
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(CN2CC[C@H](c3nc4c(C(N)=O)cccc4[nH]3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-13-5-7-14(8-6-13)11-24-10-9-15(12-24)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,15H,9-12H2,1H3,(H2,21,25)(H,22,23)/t15-/m0/s1
InChIKeyKAURJZJJMPVPAS-HNNXBMFYSA-N
XLogP2.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide 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-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137872
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 51137873) is 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is Cc1ccc(CN2CC[C@H](c3nc4c(C(N)=O)cccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KAURJZJJMPVPAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-5-7-14(8-6-13)11-24-10-9-15(12-24)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,15H,9-12H2,1H3,(H2,21,25)(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 51137873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).