N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

C25H24FN3O2 — CID 55795820

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C25H24FN3O2/c1-17-7-8-18(13-24(17)31-2)14-25(30)28-22(19-9-11-20(26)12-10-19)15-29-16-27-21-5-3-4-6-23(21)29/h3-13,16,22H,14-15H2,1-2H3,(H,28,30)
InChIKeyDIDSQHOMGCLCBJ-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.59
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 55795820) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID55795820
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C25H24FN3O2/c1-17-7-8-18(13-24(17)31-2)14-25(30)28-22(19-9-11-20(26)12-10-19)15-29-16-27-21-5-3-4-6-23(21)29/h3-13,16,22H,14-15H2,1-2H3,(H,28,30)
InChIKeyDIDSQHOMGCLCBJ-UHFFFAOYSA-N
XLogP4.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide 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

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55795884
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55795660
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86933208
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (CID 55795820) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1C.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is DIDSQHOMGCLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-17-7-8-18(13-24(17)31-2)14-25(30)28-22(19-9-11-20(26)12-10-19)15-29-16-27-21-5-3-4-6-23(21)29/h3-13,16,22H,14-15H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 417.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 55795820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).