(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol

C16H16N2O — CID 3131356

IUPAC(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol
SMILESCCn1ccnc1C(O)c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-2-18-11-10-17-16(18)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15,19H,2H2,1H3
InChIKeyHBCLMIMCRYZRCE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

About (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol

(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol (PubChem CID 3131356) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol
PubChem CID3131356
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol
SMILESCCn1ccnc1C(O)c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-2-18-11-10-17-16(18)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15,19H,2H2,1H3
InChIKeyHBCLMIMCRYZRCE-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol (CID 3131356) is (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol is CCn1ccnc1C(O)c1cccc2ccccc12.
What is the InChIKey of (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol?
The InChIKey is HBCLMIMCRYZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-18-11-10-17-16(18)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15,19H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol?
(1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol has a molecular weight of 252.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 3131356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).