4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

C25H27FN4O2 — CID 17004648

IUPAC4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27FN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2
InChIKeyCWCPJNGEYAUSKN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.10
Rot. Bonds4

About 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 17004648) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID17004648
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27FN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2
InChIKeyCWCPJNGEYAUSKN-UHFFFAOYSA-N
XLogP4.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-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

Related Compounds

4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
(4R)-1-(4-methylphenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387146
1-(2-ethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003786
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889114

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 17004648) is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is O=C(Cn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is CWCPJNGEYAUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2.
What are the key properties of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 434.52 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 17004648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).