2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid

C13H14F2N2O2 — CID 62804398

IUPAC2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CC(=O)O
InChIInChI=1S/C13H14F2N2O2/c1-7(2)3-12-16-10-4-8(14)9(15)5-11(10)17(12)6-13(18)19/h4-5,7H,3,6H2,1-2H3,(H,18,19)
InChIKeyJOJXRXQONQGSAK-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.60
Rot. Bonds4

About 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid

2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid (PubChem CID 62804398) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
PubChem CID62804398
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CC(=O)O
InChIInChI=1S/C13H14F2N2O2/c1-7(2)3-12-16-10-4-8(14)9(15)5-11(10)17(12)6-13(18)19/h4-5,7H,3,6H2,1-2H3,(H,18,19)
InChIKeyJOJXRXQONQGSAK-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-1,3-benzodiazol-1-yl)propanoic acid
CID 748256
(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
CID 344177
2-(2-phenyl-1H-1,3-benzodiazol-1-yl)acetic acid
CID 619876
1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
(2-Benzyl-1H-benzimidazol-1-yl)acetic acid
CID 622352
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol
CID 761926
(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
3-(1H-1,3-benzodiazol-1-yl)-2-methylpropanoic acid
CID 2911125
2-Carbamoyl-1-methylbenzimidazole
CID 600256
1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
CID 761836
(2-sec-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid
CID 2772439
[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
CID 675052

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid (CID 62804398) is 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid is CC(C)Cc1nc2cc(F)c(F)cc2n1CC(=O)O.
What is the InChIKey of 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid?
The InChIKey is JOJXRXQONQGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-7(2)3-12-16-10-4-8(14)9(15)5-11(10)17(12)6-13(18)19/h4-5,7H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid?
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 62804398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).