2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C25H24FN3O — CID 16983003

IUPAC2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccccc1Cn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C25H24FN3O/c1-18-9-2-3-10-19(18)17-29-23-14-7-6-13-22(23)28-24(29)15-8-16-27-25(30)20-11-4-5-12-21(20)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30)
InChIKeyOKTFFPKUFHATIW-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.89
Rot. Bonds7

About 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983003) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983003
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccccc1Cn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C25H24FN3O/c1-18-9-2-3-10-19(18)17-29-23-14-7-6-13-22(23)28-24(29)15-8-16-27-25(30)20-11-4-5-12-21(20)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30)
InChIKeyOKTFFPKUFHATIW-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16983003) is 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccccc1Cn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is OKTFFPKUFHATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-18-9-2-3-10-19(18)17-29-23-14-7-6-13-22(23)28-24(29)15-8-16-27-25(30)20-11-4-5-12-21(20)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30).
What are the key properties of 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).