6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid

C11H10F2N2O2 — CID 83870247

IUPAC6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H10F2N2O2/c1-5(2)15-9-7(14-10(15)11(16)17)4-3-6(12)8(9)13/h3-5H,1-2H3,(H,16,17)
InChIKeyRMKBXISGGXYFNL-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.59
Rot. Bonds2

About 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid

6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid (PubChem CID 83870247) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid
PubChem CID83870247
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H10F2N2O2/c1-5(2)15-9-7(14-10(15)11(16)17)4-3-6(12)8(9)13/h3-5H,1-2H3,(H,16,17)
InChIKeyRMKBXISGGXYFNL-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-3-methylbutanoate
CID 62533926
2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62533911
2-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N-ethylpropanamide
CID 62533908
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 55086320
2-(chloromethyl)-6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazole
CID 62533238
1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
CID 113499207
6-bromo-1-propan-2-ylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 90177551
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
CID 62533064
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)-6,7-difluorobenzimidazole
CID 63836263
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
CID 62532578

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid (CID 83870247) is 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid is CC(C)n1c(C(=O)O)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid?
The InChIKey is RMKBXISGGXYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-5(2)15-9-7(14-10(15)11(16)17)4-3-6(12)8(9)13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid?
6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-propan-2-ylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 83870247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).