6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol

C15H16N2O — CID 23644749

IUPAC6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol
SMILESCC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc21
InChIInChI=1S/C15H16N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h4-5,7-9,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyQCJQPRFLMJEUJL-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.08
Rot. Bonds2

About 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol

6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol (PubChem CID 23644749) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol
PubChem CID23644749
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol
SMILESCC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc21
InChIInChI=1S/C15H16N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h4-5,7-9,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyQCJQPRFLMJEUJL-UHFFFAOYSA-N
XLogP3.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol (CID 23644749) is 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol is CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc21.
What is the InChIKey of 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol?
The InChIKey is QCJQPRFLMJEUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h4-5,7-9,18H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol?
6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol has a molecular weight of 240.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 23644749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).