6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol

C15H14N2O — CID 23644753

IUPAC6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol
SMILESCc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
InChIInChI=1S/C15H14N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h2-5,7-9,18H,6H2,1H3,(H,16,17)
InChIKeySMLGRXWAHSUELO-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.17
Rot. Bonds2

About 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol

6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol (PubChem CID 23644753) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol.

Molecular Properties

Compound Name6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol
PubChem CID23644753
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol
SMILESCc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
InChIInChI=1S/C15H14N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h2-5,7-9,18H,6H2,1H3,(H,16,17)
InChIKeySMLGRXWAHSUELO-UHFFFAOYSA-N
XLogP3.17
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6433098
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1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
3-(1H-imidazol-4-yl)phenol
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(S)-1-(1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
CID 9830290
1-(1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropanol
CID 9948129
1-(1H-imidazol-5-yl)-1-[3-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol
CID 9949067
5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10561331
5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10633117
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol?
The IUPAC name of 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol (CID 23644753) is 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol.
What is the SMILES notation for 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol?
The canonical SMILES for 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol is Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12.
What is the InChIKey of 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol?
The InChIKey is SMLGRXWAHSUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h2-5,7-9,18H,6H2,1H3,(H,16,17).
What are the key properties of 6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol?
6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol has a molecular weight of 238.29 g/mol, XLogP of 3.17, 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-methylnaphthalen-2-ol is sourced from PubChem (CID 23644753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).