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

C23H18FN3O3 — CID 46289010

IUPAC2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C23H18FN3O3/c1-30-20-12-5-3-10-18(20)25-21(28)14-27-19-11-4-2-9-17(19)26-23(27)22(29)15-7-6-8-16(24)13-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyJJRCSTYPDOCQRR-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.05
Rot. Bonds6

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

2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 46289010) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID46289010
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C23H18FN3O3/c1-30-20-12-5-3-10-18(20)25-21(28)14-27-19-11-4-2-9-17(19)26-23(27)22(29)15-7-6-8-16(24)13-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyJJRCSTYPDOCQRR-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]acetamide
CID 46289049
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46289054
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 46288947
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30252486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 46289010) is 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is JJRCSTYPDOCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-20-12-5-3-10-18(20)25-21(28)14-27-19-11-4-2-9-17(19)26-23(27)22(29)15-7-6-8-16(24)13-15/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 46289010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).