7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one

C22H21F2N3O — CID 24783660

IUPAC7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)C1=CN(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C(c2ccccc2)N1
InChIInChI=1S/C22H21F2N3O/c1-13(2)18-12-27(22(25-18)14-6-4-3-5-7-14)11-15-10-19(28)26-21-16(15)8-9-17(23)20(21)24/h3-10,12-13,22,25H,11H2,1-2H3,(H,26,28)
InChIKeyLDPPXIJWAQPCHZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.41
Rot. Bonds4

About 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one

7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one (PubChem CID 24783660) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one
PubChem CID24783660
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)C1=CN(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C(c2ccccc2)N1
InChIInChI=1S/C22H21F2N3O/c1-13(2)18-12-27(22(25-18)14-6-4-3-5-7-14)11-15-10-19(28)26-21-16(15)8-9-17(23)20(21)24/h3-10,12-13,22,25H,11H2,1-2H3,(H,26,28)
InChIKeyLDPPXIJWAQPCHZ-UHFFFAOYSA-N
XLogP4.41
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one (CID 24783660) is 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one is CC(C)C1=CN(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C(c2ccccc2)N1.
What is the InChIKey of 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one?
The InChIKey is LDPPXIJWAQPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-13(2)18-12-27(22(25-18)14-6-4-3-5-7-14)11-15-10-19(28)26-21-16(15)8-9-17(23)20(21)24/h3-10,12-13,22,25H,11H2,1-2H3,(H,26,28).
What are the key properties of 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one has a molecular weight of 381.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24783660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).