1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one

C24H24FN3O — CID 50984509

IUPAC1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(F)cc1-c1c(-c2ccccc2)ncn1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C24H24FN3O/c1-16-7-8-19(25)12-21(16)24-23(18-5-3-2-4-6-18)26-15-27(24)13-17-11-22(29)28(14-17)20-9-10-20/h2-8,12,15,17,20H,9-11,13-14H2,1H3
InChIKeyPZAWQWTZIZQCHM-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.68
Rot. Bonds5

About 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one

1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 50984509) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID50984509
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(F)cc1-c1c(-c2ccccc2)ncn1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C24H24FN3O/c1-16-7-8-19(25)12-21(16)24-23(18-5-3-2-4-6-18)26-15-27(24)13-17-11-22(29)28(14-17)20-9-10-20/h2-8,12,15,17,20H,9-11,13-14H2,1H3
InChIKeyPZAWQWTZIZQCHM-UHFFFAOYSA-N
XLogP4.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one (CID 50984509) is 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one is Cc1ccc(F)cc1-c1c(-c2ccccc2)ncn1CC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is PZAWQWTZIZQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-16-7-8-19(25)12-21(16)24-23(18-5-3-2-4-6-18)26-15-27(24)13-17-11-22(29)28(14-17)20-9-10-20/h2-8,12,15,17,20H,9-11,13-14H2,1H3.
What are the key properties of 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one?
1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 389.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[5-(5-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50984509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).