2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid

C12H14N2O2 — CID 83857711

IUPAC2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
SMILESCc1ccc2nc(C(C)(C)C(=O)O)[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-8-9(6-7)14-10(13-8)12(2,3)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyIZUZMGOWERLFIA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid

2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid (PubChem CID 83857711) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
PubChem CID83857711
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
SMILESCc1ccc2nc(C(C)(C)C(=O)O)[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-8-9(6-7)14-10(13-8)12(2,3)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyIZUZMGOWERLFIA-UHFFFAOYSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128
1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 83857720
2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
CID 162371088
2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole
CID 161467811
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid
CID 117373419
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid (CID 83857711) is 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid is Cc1ccc2nc(C(C)(C)C(=O)O)[nH]c2c1.
What is the InChIKey of 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid?
The InChIKey is IZUZMGOWERLFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-5-8-9(6-7)14-10(13-8)12(2,3)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid?
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 83857711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).