N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide

C10H8F3N3O — CID 166323719

IUPACN-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cc2nc[nH]c2cc1F
InChIInChI=1S/C10H8F3N3O/c11-6-2-8-7(15-4-16-8)1-5(6)10(17)14-3-9(12)13/h1-2,4,9H,3H2,(H,14,17)(H,15,16)
InChIKeyJTNMZAJUCGJQMO-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.70
Rot. Bonds3

About N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide

N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide (PubChem CID 166323719) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide
PubChem CID166323719
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cc2nc[nH]c2cc1F
InChIInChI=1S/C10H8F3N3O/c11-6-2-8-7(15-4-16-8)1-5(6)10(17)14-3-9(12)13/h1-2,4,9H,3H2,(H,14,17)(H,15,16)
InChIKeyJTNMZAJUCGJQMO-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
CID 110785475
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 130864914
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 136545172
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119525306

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide (CID 166323719) is N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide is O=C(NCC(F)F)c1cc2nc[nH]c2cc1F.
What is the InChIKey of N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide?
The InChIKey is JTNMZAJUCGJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-6-2-8-7(15-4-16-8)1-5(6)10(17)14-3-9(12)13/h1-2,4,9H,3H2,(H,14,17)(H,15,16).
What are the key properties of N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide?
N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide has a molecular weight of 243.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166323719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).