1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

C23H34FN3O — CID 11474696

IUPAC1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(CC(C)CC(C)(C)C)nc3cc(F)ccc32)C1
InChIInChI=1S/C23H34FN3O/c1-6-7-17-11-22(28)26(14-17)15-27-20-9-8-18(24)12-19(20)25-21(27)10-16(2)13-23(3,4)5/h8-9,12,16-17H,6-7,10-11,13-15H2,1-5H3
InChIKeyNFADAGRMESZNPI-UHFFFAOYSA-N
MW387.54 g/mol
LogP5.40
Rot. Bonds7

About 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 11474696) has the molecular formula C23H34FN3O and a molecular weight of 387.54 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID11474696
Molecular FormulaC23H34FN3O
Molecular Weight387.54 g/mol
Exact Mass387.27
IUPAC Name1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(CC(C)CC(C)(C)C)nc3cc(F)ccc32)C1
InChIInChI=1S/C23H34FN3O/c1-6-7-17-11-22(28)26(14-17)15-27-20-9-8-18(24)12-19(20)25-21(27)10-16(2)13-23(3,4)5/h8-9,12,16-17H,6-7,10-11,13-15H2,1-5H3
InChIKeyNFADAGRMESZNPI-UHFFFAOYSA-N
XLogP5.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-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 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (CID 11474696) is 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cn2c(CC(C)CC(C)(C)C)nc3cc(F)ccc32)C1.
What is the InChIKey of 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is NFADAGRMESZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O/c1-6-7-17-11-22(28)26(14-17)15-27-20-9-8-18(24)12-19(20)25-21(27)10-16(2)13-23(3,4)5/h8-9,12,16-17H,6-7,10-11,13-15H2,1-5H3.
What are the key properties of 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 387.54 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 11474696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).