1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one

C18H19F2N3O — CID 155491539

IUPAC1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(F)c(-c2nccn2CC2CC(=O)N(C3CC3)C2)c1F
InChIInChI=1S/C18H19F2N3O/c1-11-2-5-14(19)16(17(11)20)18-21-6-7-22(18)9-12-8-15(24)23(10-12)13-3-4-13/h2,5-7,12-13H,3-4,8-10H2,1H3
InChIKeyIPAFTAYACLBDQD-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.15
Rot. Bonds4

About 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one

1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 155491539) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID155491539
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(F)c(-c2nccn2CC2CC(=O)N(C3CC3)C2)c1F
InChIInChI=1S/C18H19F2N3O/c1-11-2-5-14(19)16(17(11)20)18-21-6-7-22(18)9-12-8-15(24)23(10-12)13-3-4-13/h2,5-7,12-13H,3-4,8-10H2,1H3
InChIKeyIPAFTAYACLBDQD-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-[[2-(1,2-thiazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 154569202
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146042997
4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one
CID 146038204
1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one
CID 50984509
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
CID 56879430
1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494589
1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 154746765
4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146038672
6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
CID 56870582
1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one
CID 50955366
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 146041584

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 155491539) is 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is Cc1ccc(F)c(-c2nccn2CC2CC(=O)N(C3CC3)C2)c1F.
What is the InChIKey of 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is IPAFTAYACLBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-11-2-5-14(19)16(17(11)20)18-21-6-7-22(18)9-12-8-15(24)23(10-12)13-3-4-13/h2,5-7,12-13H,3-4,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 331.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 155491539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).