2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid

C14H16N2O3 — CID 82301600

IUPAC2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-13(14(17)18)16-9(2)15-12/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOTDILKDYBXNMMK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid

2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82301600) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82301600
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-13(14(17)18)16-9(2)15-12/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOTDILKDYBXNMMK-UHFFFAOYSA-N
XLogP2.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027
3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 5113292
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
2-(4-propoxyphenyl)benzoic acid
CID 62802761
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
6-(4-propoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82554292
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 82301600) is 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid is CCCOc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1.
What is the InChIKey of 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is OTDILKDYBXNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-13(14(17)18)16-9(2)15-12/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82301600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).