(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol

C16H16N2O2 — CID 2904872

IUPAC(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2ccccc2c1C(O)c1nccn1C
InChIInChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3
InChIKeyYEHUPQKRHHAPKB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds3

About (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol

(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol (PubChem CID 2904872) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
PubChem CID2904872
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2ccccc2c1C(O)c1nccn1C
InChIInChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3
InChIKeyYEHUPQKRHHAPKB-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol (CID 2904872) is (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol is COc1ccc2ccccc2c1C(O)c1nccn1C.
What is the InChIKey of (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is YEHUPQKRHHAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3.
What are the key properties of (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 268.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 2904872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).