2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid

C14H16N2O2 — CID 82294163

IUPAC2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
SMILESCc1cccc(Cc2nc(CC(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-11(6-9)7-13-15-10(2)12(16-13)8-14(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYHSMKEWJXLGUBP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.24
Rot. Bonds4

About 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid

2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid (PubChem CID 82294163) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
PubChem CID82294163
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
SMILESCc1cccc(Cc2nc(CC(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-11(6-9)7-13-15-10(2)12(16-13)8-14(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYHSMKEWJXLGUBP-UHFFFAOYSA-N
XLogP2.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82306414
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066146
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240427
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82223488
ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 115070018
6-(dihydroxymethyl)-5-methyl-2-[(3-methylphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 139309338
azanium 2-(3-methylphenyl)acetate
CID 141323779

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid (CID 82294163) is 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid is Cc1cccc(Cc2nc(CC(=O)O)c(C)[nH]2)c1.
What is the InChIKey of 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The InChIKey is YHSMKEWJXLGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-3-5-11(6-9)7-13-15-10(2)12(16-13)8-14(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid is sourced from PubChem (CID 82294163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).