2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid

C14H18N2O2 — CID 82144552

IUPAC2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C)c1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-9(2)12-15-10-7-5-6-8-11(10)16(12)14(3,4)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyPYDNZOUMDLZYNB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid

2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 82144552) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
PubChem CID82144552
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C)c1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-9(2)12-15-10-7-5-6-8-11(10)16(12)14(3,4)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyPYDNZOUMDLZYNB-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106330527
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
CID 79480777
3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115932624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid (CID 82144552) is 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid is CC(C)c1nc2ccccc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is PYDNZOUMDLZYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)12-15-10-7-5-6-8-11(10)16(12)14(3,4)13(17)18/h5-9H,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82144552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).