2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide

C15H11F2N3O — CID 3578169

IUPAC2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-6-5-10(7-12(11)17)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8H2,(H,19,21)
InChIKeyGGZMEATZFWOTRI-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.95
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide

2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 3578169) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID3578169
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-6-5-10(7-12(11)17)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8H2,(H,19,21)
InChIKeyGGZMEATZFWOTRI-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3915292
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995448
2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
CID 31788561
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 93242439
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide (CID 3578169) is 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide is O=C(Cn1cnc2ccccc21)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is GGZMEATZFWOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-11-6-5-10(7-12(11)17)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8H2,(H,19,21).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide?
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 287.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 3578169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).