N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C25H22N4O2 — CID 46604915

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cn2ccnc2)c1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H22N4O2/c30-24-14-20(16-29(24)23-10-4-7-19-6-1-2-9-22(19)23)25(31)27-21-8-3-5-18(13-21)15-28-12-11-26-17-28/h1-13,17,20H,14-16H2,(H,27,31)
InChIKeyZOSKTZLDCJQXLR-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.08
Rot. Bonds5

About N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46604915) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID46604915
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cn2ccnc2)c1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H22N4O2/c30-24-14-20(16-29(24)23-10-4-7-19-6-1-2-9-22(19)23)25(31)27-21-8-3-5-18(13-21)15-28-12-11-26-17-28/h1-13,17,20H,14-16H2,(H,27,31)
InChIKeyZOSKTZLDCJQXLR-UHFFFAOYSA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-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

(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982569
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 24590750
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 46604915) is N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cn2ccnc2)c1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZOSKTZLDCJQXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-24-14-20(16-29(24)23-10-4-7-19-6-1-2-9-22(19)23)25(31)27-21-8-3-5-18(13-21)15-28-12-11-26-17-28/h1-13,17,20H,14-16H2,(H,27,31).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46604915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).