(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide

C15H20N4O — CID 103813325

IUPAC(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1
InChIInChI=1S/C15H20N4O/c20-15(13-6-3-8-16-13)17-9-4-10-19-11-18-12-5-1-2-7-14(12)19/h1-2,5,7,11,13,16H,3-4,6,8-10H2,(H,17,20)/t13-/m1/s1
InChIKeyNMNSLDIMNMWSRU-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.29
Rot. Bonds5

About (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide

(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 103813325) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID103813325
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1
InChIInChI=1S/C15H20N4O/c20-15(13-6-3-8-16-13)17-9-4-10-19-11-18-12-5-1-2-7-14(12)19/h1-2,5,7,11,13,16H,3-4,6,8-10H2,(H,17,20)/t13-/m1/s1
InChIKeyNMNSLDIMNMWSRU-CYBMUJFWSA-N
XLogP1.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[3-(benzimidazol-1-yl)propyl]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

(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
(3R)-N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 100816417
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
(5S)-N-[3-(benzimidazol-1-yl)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94035740
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 86994064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide (CID 103813325) is (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is NMNSLDIMNMWSRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(13-6-3-8-16-13)17-9-4-10-19-11-18-12-5-1-2-7-14(12)19/h1-2,5,7,11,13,16H,3-4,6,8-10H2,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide?
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103813325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).