5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

C16H18N2O2 — CID 114527965

IUPAC5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCn1ccnc1CCOc1cccc2c1CCCC2=O
InChIInChI=1S/C16H18N2O2/c1-18-10-9-17-16(18)8-11-20-15-7-3-4-12-13(15)5-2-6-14(12)19/h3-4,7,9-10H,2,5-6,8,11H2,1H3
InChIKeyGHPSQEVEXSGTQB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds4

About 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 114527965) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID114527965
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCn1ccnc1CCOc1cccc2c1CCCC2=O
InChIInChI=1S/C16H18N2O2/c1-18-10-9-17-16(18)8-11-20-15-7-3-4-12-13(15)5-2-6-14(12)19/h3-4,7,9-10H,2,5-6,8,11H2,1H3
InChIKeyGHPSQEVEXSGTQB-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455581
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65454446
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 114527965) is 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is Cn1ccnc1CCOc1cccc2c1CCCC2=O.
What is the InChIKey of 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GHPSQEVEXSGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-10-9-17-16(18)8-11-20-15-7-3-4-12-13(15)5-2-6-14(12)19/h3-4,7,9-10H,2,5-6,8,11H2,1H3.
What are the key properties of 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 114527965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).