N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide

C23H24FN3O3 — CID 66728845

IUPACN-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide
SMILESCC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3ccc(CO)cc32)CC1
InChIInChI=1S/C23H24FN3O3/c1-14(29)16-6-8-19(9-7-16)27-21-11-15(13-28)5-10-20(21)25-23(27)26-22(30)17-3-2-4-18(24)12-17/h2-5,10-12,16,19,28H,6-9,13H2,1H3,(H,25,26,30)
InChIKeyGNPIICJAJRPOOX-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide

N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide (PubChem CID 66728845) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide
PubChem CID66728845
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide
SMILESCC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3ccc(CO)cc32)CC1
InChIInChI=1S/C23H24FN3O3/c1-14(29)16-6-8-19(9-7-16)27-21-11-15(13-28)5-10-20(21)25-23(27)26-22(30)17-3-2-4-18(24)12-17/h2-5,10-12,16,19,28H,6-9,13H2,1H3,(H,25,26,30)
InChIKeyGNPIICJAJRPOOX-UHFFFAOYSA-N
XLogP4.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide 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 N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide (CID 66728845) is N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide is CC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3ccc(CO)cc32)CC1.
What is the InChIKey of N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide?
The InChIKey is GNPIICJAJRPOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-14(29)16-6-8-19(9-7-16)27-21-11-15(13-28)5-10-20(21)25-23(27)26-22(30)17-3-2-4-18(24)12-17/h2-5,10-12,16,19,28H,6-9,13H2,1H3,(H,25,26,30).
What are the key properties of N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide?
N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide has a molecular weight of 409.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylcyclohexyl)-6-(hydroxymethyl)benzimidazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 66728845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).