5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid

C15H18N2O2 — CID 82378006

IUPAC5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid
SMILESCc1cc(C)c(CCc2[nH]cnc2C(=O)O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)12(11(3)7-9)4-5-13-14(15(18)19)17-8-16-13/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHMSFZLZSFCHEPA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.82
Rot. Bonds4

About 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid

5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid (PubChem CID 82378006) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid
PubChem CID82378006
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid
SMILESCc1cc(C)c(CCc2[nH]cnc2C(=O)O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)12(11(3)7-9)4-5-13-14(15(18)19)17-8-16-13/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHMSFZLZSFCHEPA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid
CID 116520259
5-(ethylsulfonylmethyl)-1H-imidazole-4-carboxylic acid
CID 117214135
5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
CID 115005649
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
5-ethyl-4-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 121273307
ethyl 5-methyl-1H-imidazole-4-carboxylate;5-methyl-1H-imidazole-4-carboxylic acid
CID 157269829
trimethyl-[3-(2,4,6-trimethylphenyl)propyl]silane
CID 71178201
2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
CID 82131216
3-(2,4,6-trimethylphenyl)pyrazine-2-carboxylic acid
CID 82477716
4-nitro-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylic acid
CID 107345720
2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82294241

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid (CID 82378006) is 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid is Cc1cc(C)c(CCc2[nH]cnc2C(=O)O)c(C)c1.
What is the InChIKey of 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is HMSFZLZSFCHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-10(2)12(11(3)7-9)4-5-13-14(15(18)19)17-8-16-13/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid?
5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82378006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).