5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one

C24H29FN4O2 — CID 58511935

IUPAC5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)n(C)c(=O)n2CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-18(30)19-5-10-22-23(17-19)26(2)24(31)29(22)12-4-3-11-27-13-15-28(16-14-27)21-8-6-20(25)7-9-21/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyTYBMZBKEUIOMDP-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.28
Rot. Bonds7

About 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one

5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one (PubChem CID 58511935) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one
PubChem CID58511935
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)n(C)c(=O)n2CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-18(30)19-5-10-22-23(17-19)26(2)24(31)29(22)12-4-3-11-27-13-15-28(16-14-27)21-8-6-20(25)7-9-21/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyTYBMZBKEUIOMDP-UHFFFAOYSA-N
XLogP3.28
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-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 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one (CID 58511935) is 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one is CC(=O)c1ccc2c(c1)n(C)c(=O)n2CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one?
The InChIKey is TYBMZBKEUIOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-18(30)19-5-10-22-23(17-19)26(2)24(31)29(22)12-4-3-11-27-13-15-28(16-14-27)21-8-6-20(25)7-9-21/h5-10,17H,3-4,11-16H2,1-2H3.
What are the key properties of 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one?
5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one has a molecular weight of 424.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 58511935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).