6,7-difluoro-3H-benzimidazole-4-carboxamide

C8H5F2N3O — CID 130980136

IUPAC6,7-difluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)c(F)c2nc[nH]c12
InChIInChI=1S/C8H5F2N3O/c9-4-1-3(8(11)14)6-7(5(4)10)13-2-12-6/h1-2H,(H2,11,14)(H,12,13)
InChIKeyZCYALWXFZNVQDP-UHFFFAOYSA-N
MW197.14 g/mol
LogP0.94
Rot. Bonds1

About 6,7-difluoro-3H-benzimidazole-4-carboxamide

6,7-difluoro-3H-benzimidazole-4-carboxamide (PubChem CID 130980136) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 6,7-difluoro-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-3H-benzimidazole-4-carboxamide
PubChem CID130980136
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name6,7-difluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)c(F)c2nc[nH]c12
InChIInChI=1S/C8H5F2N3O/c9-4-1-3(8(11)14)6-7(5(4)10)13-2-12-6/h1-2H,(H2,11,14)(H,12,13)
InChIKeyZCYALWXFZNVQDP-UHFFFAOYSA-N
XLogP0.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-Benzimidazole-4-carboxamide
CID 10130109
2-Phenylbenzimidazole-4-carboxamide
CID 10823781
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
CID 11960528
2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960631
2-(2-methylazetidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3H-benzimidazole-4-carboxamide?
The IUPAC name of 6,7-difluoro-3H-benzimidazole-4-carboxamide (CID 130980136) is 6,7-difluoro-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6,7-difluoro-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 6,7-difluoro-3H-benzimidazole-4-carboxamide is NC(=O)c1cc(F)c(F)c2nc[nH]c12.
What is the InChIKey of 6,7-difluoro-3H-benzimidazole-4-carboxamide?
The InChIKey is ZCYALWXFZNVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-4-1-3(8(11)14)6-7(5(4)10)13-2-12-6/h1-2H,(H2,11,14)(H,12,13).
What are the key properties of 6,7-difluoro-3H-benzimidazole-4-carboxamide?
6,7-difluoro-3H-benzimidazole-4-carboxamide has a molecular weight of 197.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 130980136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).