2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid

C15H18N2O2 — CID 82300512

IUPAC2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(CC(C)C)cc2)c(C(=O)O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9(2)8-11-4-6-12(7-5-11)13-14(15(18)19)17-10(3)16-13/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZDANARWMJHGANH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid

2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid (PubChem CID 82300512) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid
PubChem CID82300512
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(CC(C)C)cc2)c(C(=O)O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9(2)8-11-4-6-12(7-5-11)13-14(15(18)19)17-10(3)16-13/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZDANARWMJHGANH-UHFFFAOYSA-N
XLogP3.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 116858174
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
4-(1,3-benzodioxol-5-yl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82295008
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
2-[4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl]acetic acid
CID 84611223
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid (CID 82300512) is 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid is Cc1nc(-c2ccc(CC(C)C)cc2)c(C(=O)O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is ZDANARWMJHGANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)8-11-4-6-12(7-5-11)13-14(15(18)19)17-10(3)16-13/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid?
2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82300512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).