2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid

C11H10F2N2O2 — CID 116838286

IUPAC2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
SMILESCc1nc2ccc(CC(F)(F)C(=O)O)cc2[nH]1
InChIInChI=1S/C11H10F2N2O2/c1-6-14-8-3-2-7(4-9(8)15-6)5-11(12,13)10(16)17/h2-4H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNQFGTJZOEMCYMI-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.13
Rot. Bonds3

About 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid

2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid (PubChem CID 116838286) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
PubChem CID116838286
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
SMILESCc1nc2ccc(CC(F)(F)C(=O)O)cc2[nH]1
InChIInChI=1S/C11H10F2N2O2/c1-6-14-8-3-2-7(4-9(8)15-6)5-11(12,13)10(16)17/h2-4H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNQFGTJZOEMCYMI-UHFFFAOYSA-N
XLogP2.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid (CID 116838286) is 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid is Cc1nc2ccc(CC(F)(F)C(=O)O)cc2[nH]1.
What is the InChIKey of 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid?
The InChIKey is NQFGTJZOEMCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6-14-8-3-2-7(4-9(8)15-6)5-11(12,13)10(16)17/h2-4H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid?
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 116838286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).