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

C23H18FN3O2 — CID 46289049

IUPACN-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H18FN3O2/c24-18-10-6-9-17(13-18)22(29)23-26-19-11-4-5-12-20(19)27(23)15-21(28)25-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,28)
InChIKeyZZEAQBCIIJXXLY-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.72
Rot. Bonds6

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

N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide (PubChem CID 46289049) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide
PubChem CID46289049
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H18FN3O2/c24-18-10-6-9-17(13-18)22(29)23-26-19-11-4-5-12-20(19)27(23)15-21(28)25-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,28)
InChIKeyZZEAQBCIIJXXLY-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46289054
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46289010
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033340
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide (CID 46289049) is N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZZEAQBCIIJXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-18-10-6-9-17(13-18)22(29)23-26-19-11-4-5-12-20(19)27(23)15-21(28)25-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,28).
What are the key properties of N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46289049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).