1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one

C17H16ClN5O — CID 154568444

IUPAC1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
SMILESCn1ccnc1-c1nccn1C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H16ClN5O/c1-21-7-5-19-16(21)17-20-6-8-22(17)14-10-15(24)23(11-14)13-4-2-3-12(18)9-13/h2-9,14H,10-11H2,1H3
InChIKeyVNPPZORJEONKFD-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one

1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 154568444) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID154568444
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
SMILESCn1ccnc1-c1nccn1C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H16ClN5O/c1-21-7-5-19-16(21)17-20-6-8-22(17)14-10-15(24)23(11-14)13-4-2-3-12(18)9-13/h2-9,14H,10-11H2,1H3
InChIKeyVNPPZORJEONKFD-UHFFFAOYSA-N
XLogP2.91
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
(3R)-1-(3-chlorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2236459
1-(2-chlorophenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrrolidin-2-one
CID 70716243
(2,6-dimethylphenyl) (3R)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057061
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050
(4R)-1-(4-fluorophenyl)-4-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 95874630
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one (CID 154568444) is 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one is Cn1ccnc1-c1nccn1C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is VNPPZORJEONKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-21-7-5-19-16(21)17-20-6-8-22(17)14-10-15(24)23(11-14)13-4-2-3-12(18)9-13/h2-9,14H,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 341.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 154568444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).