4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one

C22H20FN3O2 — CID 172755561

IUPAC4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one
SMILESO=C1N=c2cccc(C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2=N1
InChIInChI=1S/C22H20FN3O2/c23-17-8-6-16(7-9-17)20(27)5-2-12-26-13-10-15(11-14-26)18-3-1-4-19-21(18)25-22(28)24-19/h1,3-4,6-10H,2,5,11-14H2
InChIKeyKYXLVZKFJPSRAZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.95
Rot. Bonds6

About 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one

4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one (PubChem CID 172755561) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one
PubChem CID172755561
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one
SMILESO=C1N=c2cccc(C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2=N1
InChIInChI=1S/C22H20FN3O2/c23-17-8-6-16(7-9-17)20(27)5-2-12-26-13-10-15(11-14-26)18-3-1-4-19-21(18)25-22(28)24-19/h1,3-4,6-10H,2,5,11-14H2
InChIKeyKYXLVZKFJPSRAZ-UHFFFAOYSA-N
XLogP2.95
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]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-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one?
The IUPAC name of 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one (CID 172755561) is 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one?
The canonical SMILES for 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one is O=C1N=c2cccc(C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2=N1.
What is the InChIKey of 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one?
The InChIKey is KYXLVZKFJPSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-17-8-6-16(7-9-17)20(27)5-2-12-26-13-10-15(11-14-26)18-3-1-4-19-21(18)25-22(28)24-19/h1,3-4,6-10H,2,5,11-14H2.
What are the key properties of 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one?
4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one has a molecular weight of 377.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 172755561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).