2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide

C17H15F2N3O — CID 31788561

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C17H15F2N3O/c1-2-11-3-5-12(6-4-11)21-17(23)9-22-10-20-15-7-13(18)14(19)8-16(15)22/h3-8,10H,2,9H2,1H3,(H,21,23)
InChIKeyWVOGHXFXRWYZNU-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.52
Rot. Bonds4

About 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide

2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 31788561) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
PubChem CID31788561
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C17H15F2N3O/c1-2-11-3-5-12(6-4-11)21-17(23)9-22-10-20-15-7-13(18)14(19)8-16(15)22/h3-8,10H,2,9H2,1H3,(H,21,23)
InChIKeyWVOGHXFXRWYZNU-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525466
2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 31808023
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide (CID 31788561) is 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2cnc3cc(F)c(F)cc32)cc1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is WVOGHXFXRWYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-11-3-5-12(6-4-11)21-17(23)9-22-10-20-15-7-13(18)14(19)8-16(15)22/h3-8,10H,2,9H2,1H3,(H,21,23).
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide?
2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 31788561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).