1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H20N4O3 — CID 142550467

IUPAC1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H20N4O3/c22-15-3-1-12(2-4-15)9-21-10-13(7-16(21)23)17(24)19-6-5-14-8-18-11-20-14/h1-4,8,11,13,22H,5-7,9-10H2,(H,18,20)(H,19,24)
InChIKeyKVYNAQPAUNYMKI-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.82
Rot. Bonds6

About 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 142550467) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID142550467
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H20N4O3/c22-15-3-1-12(2-4-15)9-21-10-13(7-16(21)23)17(24)19-6-5-14-8-18-11-20-14/h1-4,8,11,13,22H,5-7,9-10H2,(H,18,20)(H,19,24)
InChIKeyKVYNAQPAUNYMKI-UHFFFAOYSA-N
XLogP0.82
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-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

1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 138506317
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97139662
1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42649268
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
(3S)-1-benzyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124606549
N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 142550467) is 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2ccc(O)cc2)C1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KVYNAQPAUNYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15-3-1-12(2-4-15)9-21-10-13(7-16(21)23)17(24)19-6-5-14-8-18-11-20-14/h1-4,8,11,13,22H,5-7,9-10H2,(H,18,20)(H,19,24).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142550467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).