7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

C15H17ClN2O2 — CID 45264085

IUPAC7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CC(Cn1ccnc1)CC2
InChIInChI=1S/C15H16N2O2.ClH/c18-15(19)13-4-3-12-2-1-11(7-14(12)8-13)9-17-6-5-16-10-17;/h3-6,8,10-11H,1-2,7,9H2,(H,18,19);1H
InChIKeyWYYOOCNRIICWPL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.81
Rot. Bonds3

About 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 45264085) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID45264085
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CC(Cn1ccnc1)CC2
InChIInChI=1S/C15H16N2O2.ClH/c18-15(19)13-4-3-12-2-1-11(7-14(12)8-13)9-17-6-5-16-10-17;/h3-6,8,10-11H,1-2,7,9H2,(H,18,19);1H
InChIKeyWYYOOCNRIICWPL-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (CID 45264085) is 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)CC(Cn1ccnc1)CC2.
What is the InChIKey of 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is WYYOOCNRIICWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c18-15(19)13-4-3-12-2-1-11(7-14(12)8-13)9-17-6-5-16-10-17;/h3-6,8,10-11H,1-2,7,9H2,(H,18,19);1H.
What are the key properties of 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45264085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).