2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid

C12H14N2O3 — CID 84796849

IUPAC2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
SMILESCC(C)c1nc2ccc(O)cc2n1CC(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(2)12-13-9-4-3-8(15)5-10(9)14(12)6-11(16)17/h3-5,7,15H,6H2,1-2H3,(H,16,17)
InChIKeyHNFKEFPYIQSTQS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid

2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid (PubChem CID 84796849) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
PubChem CID84796849
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
SMILESCC(C)c1nc2ccc(O)cc2n1CC(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(2)12-13-9-4-3-8(15)5-10(9)14(12)6-11(16)17/h3-5,7,15H,6H2,1-2H3,(H,16,17)
InChIKeyHNFKEFPYIQSTQS-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-propanoyl-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 94743145
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid (CID 84796849) is 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid is CC(C)c1nc2ccc(O)cc2n1CC(=O)O.
What is the InChIKey of 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is HNFKEFPYIQSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)12-13-9-4-3-8(15)5-10(9)14(12)6-11(16)17/h3-5,7,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid?
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84796849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).