1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole

C16H16N2O — CID 12698961

IUPAC1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole
SMILESCOC(Cn1ccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-19-16(11-18-10-9-17-12-18)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16H,11H2,1H3
InChIKeyBWBJNQYEKNCUMD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole

1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole (PubChem CID 12698961) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole
PubChem CID12698961
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole
SMILESCOC(Cn1ccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-19-16(11-18-10-9-17-12-18)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16H,11H2,1H3
InChIKeyBWBJNQYEKNCUMD-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 53626
CID 53626
CID 23646371
CID 23646371
CID 11340002
CID 11340002
CID 53625
CID 53625
CID 492012
CID 492012
CID 492015
CID 492015
CID 3131356
CID 3131356
CID 619964
CID 619964
CID 3009082
CID 3009082
CID 6436121
CID 6436121
CID 135705485
CID 135705485
CID 130368
CID 130368

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole?
The IUPAC name of 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole (CID 12698961) is 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole.
What is the SMILES notation for 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole?
The canonical SMILES for 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole is COC(Cn1ccnc1)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole?
The InChIKey is BWBJNQYEKNCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-16(11-18-10-9-17-12-18)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16H,11H2,1H3.
What are the key properties of 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole?
1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole has a molecular weight of 252.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-naphthalen-1-ylethyl)imidazole is sourced from PubChem (CID 12698961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).