(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide

C15H18N4O — CID 118980745

IUPAC(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCNC1
InChIInChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-10-19(11-17-14)9-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9H2,(H,18,20)/t13-/m0/s1
InChIKeyNSLJLYLOIBOZLX-ZDUSSCGKSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds4

About (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide

(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 118980745) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID118980745
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCNC1
InChIInChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-10-19(11-17-14)9-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9H2,(H,18,20)/t13-/m0/s1
InChIKeyNSLJLYLOIBOZLX-ZDUSSCGKSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-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

N-(1-benzylimidazol-4-yl)-1-cyanopyrrolidine-3-carboxamide
CID 118981254
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
CID 119279361
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119677563

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide (CID 118980745) is (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NSLJLYLOIBOZLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-10-19(11-17-14)9-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide?
(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).