2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

C12H12F2N2O2 — CID 62337121

IUPAC2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C(F)F)n(CC(=O)O)c2cc1C
InChIInChI=1S/C12H12F2N2O2/c1-6-3-8-9(4-7(6)2)16(5-10(17)18)12(15-8)11(13)14/h3-4,11H,5H2,1-2H3,(H,17,18)
InChIKeyITTGZWAFZBQRBC-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (PubChem CID 62337121) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
PubChem CID62337121
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C(F)F)n(CC(=O)O)c2cc1C
InChIInChI=1S/C12H12F2N2O2/c1-6-3-8-9(4-7(6)2)16(5-10(17)18)12(15-8)11(13)14/h3-4,11H,5H2,1-2H3,(H,17,18)
InChIKeyITTGZWAFZBQRBC-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
CID 62336746
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 84796849
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (CID 62337121) is 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is Cc1cc2nc(C(F)F)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The InChIKey is ITTGZWAFZBQRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-6-3-8-9(4-7(6)2)16(5-10(17)18)12(15-8)11(13)14/h3-4,11H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid has a molecular weight of 254.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 62337121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).