2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid

C9H5ClF2N2O2 — CID 131521145

IUPAC2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c2nc(Cl)[nH]c12
InChIInChI=1S/C9H5ClF2N2O2/c10-9-13-5-3(7(11)12)1-2-4(8(15)16)6(5)14-9/h1-2,7H,(H,13,14)(H,15,16)
InChIKeySJZABSJAADCVAD-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid

2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid (PubChem CID 131521145) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid
PubChem CID131521145
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c2nc(Cl)[nH]c12
InChIInChI=1S/C9H5ClF2N2O2/c10-9-13-5-3(7(11)12)1-2-4(8(15)16)6(5)14-9/h1-2,7H,(H,13,14)(H,15,16)
InChIKeySJZABSJAADCVAD-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole
CID 130895405
6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119013778
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
3-bromo-2-chloro-6-(difluoromethyl)benzoic acid
CID 131362271
6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134
5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130096479
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012331
6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074368
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
3-(chloromethyl)-2-cyano-4-(difluoromethyl)benzoic acid
CID 131378688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid (CID 131521145) is 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid is O=C(O)c1ccc(C(F)F)c2nc(Cl)[nH]c12.
What is the InChIKey of 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid?
The InChIKey is SJZABSJAADCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-9-13-5-3(7(11)12)1-2-4(8(15)16)6(5)14-9/h1-2,7H,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid?
2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid has a molecular weight of 246.60 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 131521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).