1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one

C14H13N3O2 — CID 5160516

IUPAC1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C14H13N3O2/c18-13-2-1-8-17(13)12-5-3-11(4-6-12)14(19)16-9-7-15-10-16/h3-7,9-10H,1-2,8H2
InChIKeyBIVRTJJCEHMQBL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 5160516) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID5160516
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C14H13N3O2/c18-13-2-1-8-17(13)12-5-3-11(4-6-12)14(19)16-9-7-15-10-16/h3-7,9-10H,1-2,8H2
InChIKeyBIVRTJJCEHMQBL-UHFFFAOYSA-N
XLogP1.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
1-(imidazole-1-carbonyl)pyrrolidin-2-one
CID 19387298
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one (CID 5160516) is 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(C(=O)n2ccnc2)cc1.
What is the InChIKey of 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is BIVRTJJCEHMQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-2-1-8-17(13)12-5-3-11(4-6-12)14(19)16-9-7-15-10-16/h3-7,9-10H,1-2,8H2.
What are the key properties of 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 5160516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).