5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid

C14H14N2O2 — CID 82373735

IUPAC5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c(C2CC2)[nH]1
InChIInChI=1S/C14H14N2O2/c1-8-4-2-3-5-10(8)13-15-11(9-6-7-9)12(16-13)14(17)18/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeySMDHIMHDVWEGLR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.96
Rot. Bonds3

About 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid

5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid (PubChem CID 82373735) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
PubChem CID82373735
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c(C2CC2)[nH]1
InChIInChI=1S/C14H14N2O2/c1-8-4-2-3-5-10(8)13-15-11(9-6-7-9)12(16-13)14(17)18/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeySMDHIMHDVWEGLR-UHFFFAOYSA-N
XLogP2.96
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
CID 82373746
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82474265
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 63612440
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid (CID 82373735) is 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid is Cc1ccccc1-c1nc(C(=O)O)c(C2CC2)[nH]1.
What is the InChIKey of 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is SMDHIMHDVWEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-4-2-3-5-10(8)13-15-11(9-6-7-9)12(16-13)14(17)18/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid?
5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82373735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).