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

C16H17ClN4O2 — CID 42649268

IUPAC1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17ClN4O2/c17-12-1-3-14(4-2-12)21-9-11(7-15(21)22)16(23)19-6-5-13-8-18-10-20-13/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,23)
InChIKeyXYQQEKSXZIDDDD-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.77
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42649268) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42649268
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17ClN4O2/c17-12-1-3-14(4-2-12)21-9-11(7-15(21)22)16(23)19-6-5-13-8-18-10-20-13/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,23)
InChIKeyXYQQEKSXZIDDDD-UHFFFAOYSA-N
XLogP1.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 142550467
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42649268) is 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XYQQEKSXZIDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-1-3-14(4-2-12)21-9-11(7-15(21)22)16(23)19-6-5-13-8-18-10-20-13/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,23).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42649268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).