1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol

C17H18N2O — CID 54123765

IUPAC1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol
SMILESCCc1nc(Cc2c(O)ccc3ccccc23)c(C)[nH]1
InChIInChI=1S/C17H18N2O/c1-3-17-18-11(2)15(19-17)10-14-13-7-5-4-6-12(13)8-9-16(14)20/h4-9,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyNPNUCYDUESRLCW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds3

About 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol

1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol (PubChem CID 54123765) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol
PubChem CID54123765
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol
SMILESCCc1nc(Cc2c(O)ccc3ccccc23)c(C)[nH]1
InChIInChI=1S/C17H18N2O/c1-3-17-18-11(2)15(19-17)10-14-13-7-5-4-6-12(13)8-9-16(14)20/h4-9,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyNPNUCYDUESRLCW-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol (CID 54123765) is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol is CCc1nc(Cc2c(O)ccc3ccccc23)c(C)[nH]1.
What is the InChIKey of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol?
The InChIKey is NPNUCYDUESRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-17-18-11(2)15(19-17)10-14-13-7-5-4-6-12(13)8-9-16(14)20/h4-9,20H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol?
1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol has a molecular weight of 266.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 54123765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).