4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one

C22H19F2N3O — CID 66749194

IUPAC4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC2(C)CC2)c2ccc(-c3cc4ccccc4nc3F)c(F)c21
InChIInChI=1S/C22H19F2N3O/c1-22(9-10-22)12-27-17-8-7-14(18(23)19(17)26(2)21(27)28)15-11-13-5-3-4-6-16(13)25-20(15)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIFRWIEAHSFVUKH-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.63
Rot. Bonds3

About 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one

4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one (PubChem CID 66749194) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one
PubChem CID66749194
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC2(C)CC2)c2ccc(-c3cc4ccccc4nc3F)c(F)c21
InChIInChI=1S/C22H19F2N3O/c1-22(9-10-22)12-27-17-8-7-14(18(23)19(17)26(2)21(27)28)15-11-13-5-3-4-6-16(13)25-20(15)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIFRWIEAHSFVUKH-UHFFFAOYSA-N
XLogP4.63
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-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 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one?
The IUPAC name of 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one (CID 66749194) is 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one?
The canonical SMILES for 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one is Cn1c(=O)n(CC2(C)CC2)c2ccc(-c3cc4ccccc4nc3F)c(F)c21.
What is the InChIKey of 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one?
The InChIKey is IFRWIEAHSFVUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-22(9-10-22)12-27-17-8-7-14(18(23)19(17)26(2)21(27)28)15-11-13-5-3-4-6-16(13)25-20(15)24/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one?
4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one has a molecular weight of 379.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-fluoroquinolin-3-yl)-3-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-one is sourced from PubChem (CID 66749194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).