5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid

C21H20N2O2 — CID 68663402

IUPAC5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)ncn1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H20N2O2/c1-14-7-2-4-10-16(14)20-19(21(24)25)22-13-23(20)18-12-6-9-15-8-3-5-11-17(15)18/h2-5,7-8,10-11,13,18H,6,9,12H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyWHHYYLBAEZLJOY-GOSISDBHSA-N
MW332.40 g/mol
LogP4.48
Rot. Bonds3

About 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid

5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid (PubChem CID 68663402) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid
PubChem CID68663402
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)ncn1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H20N2O2/c1-14-7-2-4-10-16(14)20-19(21(24)25)22-13-23(20)18-12-6-9-15-8-3-5-11-17(15)18/h2-5,7-8,10-11,13,18H,6,9,12H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyWHHYYLBAEZLJOY-GOSISDBHSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
CID 59324919
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid
CID 89177505
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 173080411
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 115003566
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
CID 102786845

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid (CID 68663402) is 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid is Cc1ccccc1-c1c(C(=O)O)ncn1[C@@H]1CCCc2ccccc21.
What is the InChIKey of 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid?
The InChIKey is WHHYYLBAEZLJOY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-7-2-4-10-16(14)20-19(21(24)25)22-13-23(20)18-12-6-9-15-8-3-5-11-17(15)18/h2-5,7-8,10-11,13,18H,6,9,12H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid?
5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 68663402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).