N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide

C25H24FN3O2 — CID 16982855

IUPACN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c1-31-23-10-5-2-7-20(23)25(30)27-16-6-11-24-28-21-8-3-4-9-22(21)29(24)17-18-12-14-19(26)15-13-18/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30)
InChIKeyOGJDRKNMXXUKSU-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.59
Rot. Bonds8

About N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide

N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide (PubChem CID 16982855) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
PubChem CID16982855
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c1-31-23-10-5-2-7-20(23)25(30)27-16-6-11-24-28-21-8-3-4-9-22(21)29(24)17-18-12-14-19(26)15-13-18/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30)
InChIKeyOGJDRKNMXXUKSU-UHFFFAOYSA-N
XLogP4.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

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-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983959
N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991086
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide (CID 16982855) is N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The InChIKey is OGJDRKNMXXUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-31-23-10-5-2-7-20(23)25(30)27-16-6-11-24-28-21-8-3-4-9-22(21)29(24)17-18-12-14-19(26)15-13-18/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30).
What are the key properties of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide has a molecular weight of 417.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 16982855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).