3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide

C25H24FN3O — CID 53063143

IUPAC3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1F
InChIInChI=1S/C25H24FN3O/c1-18-11-13-20(17-21(18)26)25(30)27-15-16-29-23-10-6-5-9-22(23)28-24(29)14-12-19-7-3-2-4-8-19/h2-11,13,17H,12,14-16H2,1H3,(H,27,30)
InChIKeyFNEVHKFQTXIARX-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.70
Rot. Bonds7

About 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide (PubChem CID 53063143) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
PubChem CID53063143
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1F
InChIInChI=1S/C25H24FN3O/c1-18-11-13-20(17-21(18)26)25(30)27-15-16-29-23-10-6-5-9-22(23)28-24(29)14-12-19-7-3-2-4-8-19/h2-11,13,17H,12,14-16H2,1H3,(H,27,30)
InChIKeyFNEVHKFQTXIARX-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide 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

3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278480
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide (CID 53063143) is 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide?
The InChIKey is FNEVHKFQTXIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-18-11-13-20(17-21(18)26)25(30)27-15-16-29-23-10-6-5-9-22(23)28-24(29)14-12-19-7-3-2-4-8-19/h2-11,13,17H,12,14-16H2,1H3,(H,27,30).
What are the key properties of 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 53063143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).