2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide

C25H22FN3O2 — CID 46289054

IUPAC2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C25H22FN3O2/c26-20-12-6-11-19(16-20)24(31)25-28-21-13-4-5-14-22(21)29(25)17-23(30)27-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,27,30)
InChIKeyYTPNVBFAJKPVBA-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.16
Rot. Bonds8

About 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide

2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 46289054) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID46289054
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C25H22FN3O2/c26-20-12-6-11-19(16-20)24(31)25-28-21-13-4-5-14-22(21)29(25)17-23(30)27-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,27,30)
InChIKeyYTPNVBFAJKPVBA-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.16
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-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide
CID 46289049
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46289010
N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
CID 53129358
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46347555
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide (CID 46289054) is 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide is O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCCCc1ccccc1.
What is the InChIKey of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is YTPNVBFAJKPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-20-12-6-11-19(16-20)24(31)25-28-21-13-4-5-14-22(21)29(25)17-23(30)27-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,27,30).
What are the key properties of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide?
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 46289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).