7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

C15H17ClN2O2 — CID 67854432

IUPAC7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCC1c2cc(C(=O)O)ccc2CCC1n1ccnc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-13-8-12(15(18)19)3-2-11(13)4-5-14(10)17-7-6-16-9-17;/h2-3,6-10,14H,4-5H2,1H3,(H,18,19);1H
InChIKeyRAJIVADWZBBTJZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.29
Rot. Bonds2

About 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 67854432) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID67854432
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCC1c2cc(C(=O)O)ccc2CCC1n1ccnc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-13-8-12(15(18)19)3-2-11(13)4-5-14(10)17-7-6-16-9-17;/h2-3,6-10,14H,4-5H2,1H3,(H,18,19);1H
InChIKeyRAJIVADWZBBTJZ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (CID 67854432) is 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is CC1c2cc(C(=O)O)ccc2CCC1n1ccnc1.Cl.
What is the InChIKey of 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is RAJIVADWZBBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-10-13-8-12(15(18)19)3-2-11(13)4-5-14(10)17-7-6-16-9-17;/h2-3,6-10,14H,4-5H2,1H3,(H,18,19);1H.
What are the key properties of 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67854432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).