(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C20H22N4O — CID 122081440

IUPAC(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCCN1
InChIInChI=1S/C20H22N4O/c25-20(18-5-3-11-21-18)22-12-15-7-9-16(10-8-15)13-24-14-23-17-4-1-2-6-19(17)24/h1-2,4,6-10,14,18,21H,3,5,11-13H2,(H,22,25)/t18-/m0/s1
InChIKeyOEQPFTAEPVQSCQ-SFHVURJKSA-N
MW334.42 g/mol
LogP2.45
Rot. Bonds5

About (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122081440) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID122081440
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCCN1
InChIInChI=1S/C20H22N4O/c25-20(18-5-3-11-21-18)22-12-15-7-9-16(10-8-15)13-24-14-23-17-4-1-2-6-19(17)24/h1-2,4,6-10,14,18,21H,3,5,11-13H2,(H,22,25)/t18-/m0/s1
InChIKeyOEQPFTAEPVQSCQ-SFHVURJKSA-N
XLogP2.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-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

(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119868677
(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129468678
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119303149
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 122081440) is (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is OEQPFTAEPVQSCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-5-3-11-21-18)22-12-15-7-9-16(10-8-15)13-24-14-23-17-4-1-2-6-19(17)24/h1-2,4,6-10,14,18,21H,3,5,11-13H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122081440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).