2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid

C13H16N2O2 — CID 82142022

IUPAC2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
SMILESCC(C)c1nc2cc(CC(=O)O)ccc2n1C
InChIInChI=1S/C13H16N2O2/c1-8(2)13-14-10-6-9(7-12(16)17)4-5-11(10)15(13)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyXKAPEPHVVWSDQH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.32
Rot. Bonds3

About 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid

2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid (PubChem CID 82142022) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
PubChem CID82142022
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
SMILESCC(C)c1nc2cc(CC(=O)O)ccc2n1C
InChIInChI=1S/C13H16N2O2/c1-8(2)13-14-10-6-9(7-12(16)17)4-5-11(10)15(13)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyXKAPEPHVVWSDQH-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
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1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid
CID 1097871
1-(3,5-Dimethylphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 5048736
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
CID 20887718

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid (CID 82142022) is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid is CC(C)c1nc2cc(CC(=O)O)ccc2n1C.
What is the InChIKey of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid?
The InChIKey is XKAPEPHVVWSDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)13-14-10-6-9(7-12(16)17)4-5-11(10)15(13)3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid?
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82142022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).