5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid

C14H16N2O2 — CID 82478418

IUPAC5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
SMILESCc1ncn(-c2ccc(C(C)C)cc2)c1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyCHOOMRXTRRVBPV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.00
Rot. Bonds3

About 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid

5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid (PubChem CID 82478418) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
PubChem CID82478418
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
SMILESCc1ncn(-c2ccc(C(C)C)cc2)c1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyCHOOMRXTRRVBPV-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
3-(5-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480997
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
5-iodo-6-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 66339795
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
1-(4-chlorophenyl)-4-methyl-3-propan-2-ylpyrazole-5-carboxylic acid
CID 22831922
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
3-[2-(3-cyano-2-methylpropoxy)phenyl]-5-methylimidazole-4-carboxylic acid
CID 141405516
5-methyl-3-(3-propan-2-yloxypropyl)imidazole-4-carboxylic acid
CID 98014557
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid (CID 82478418) is 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid is Cc1ncn(-c2ccc(C(C)C)cc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid?
The InChIKey is CHOOMRXTRRVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18).
What are the key properties of 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid?
5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82478418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).