2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid

C16H18N2O2 — CID 82305966

IUPAC2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCCC3)cn1CC(=O)O
InChIInChI=1S/C16H18N2O2/c1-11-17-15(9-18(11)10-16(19)20)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5,10H2,1H3,(H,19,20)
InChIKeySIPFYLNORHFBSY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.82
Rot. Bonds3

About 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid

2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid (PubChem CID 82305966) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
PubChem CID82305966
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCCC3)cn1CC(=O)O
InChIInChI=1S/C16H18N2O2/c1-11-17-15(9-18(11)10-16(19)20)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5,10H2,1H3,(H,19,20)
InChIKeySIPFYLNORHFBSY-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82306975
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
2-[6-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid;dihydrochloride
CID 66877716
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;hydroiodide
CID 19214757
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787
3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035233

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid (CID 82305966) is 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid is Cc1nc(-c2ccc3c(c2)CCCC3)cn1CC(=O)O.
What is the InChIKey of 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid?
The InChIKey is SIPFYLNORHFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-17-15(9-18(11)10-16(19)20)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid?
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82305966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).