2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C9H7F2N3O2 — CID 103605142

IUPAC2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)F
InChIInChI=1S/C9H7F2N3O2/c10-7(11)8(15)12-4-1-2-5-6(3-4)14-9(16)13-5/h1-3,7H,(H,12,15)(H2,13,14,16)
InChIKeyBRJCWHAZJGNBOQ-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.06
Rot. Bonds2

About 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 103605142) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID103605142
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)F
InChIInChI=1S/C9H7F2N3O2/c10-7(11)8(15)12-4-1-2-5-6(3-4)14-9(16)13-5/h1-3,7H,(H,12,15)(H2,13,14,16)
InChIKeyBRJCWHAZJGNBOQ-UHFFFAOYSA-N
XLogP1.06
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
CID 37309732
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 103605142) is 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is BRJCWHAZJGNBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c10-7(11)8(15)12-4-1-2-5-6(3-4)14-9(16)13-5/h1-3,7H,(H,12,15)(H2,13,14,16).
What are the key properties of 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 227.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 103605142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).