2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate

C20H22N2O3 — CID 54034409

IUPAC2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate
SMILESO=C(Cn1cncc1CCCO)OCCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O3/c23-10-3-6-19-13-21-15-22(19)14-20(24)25-11-9-16-7-8-17-4-1-2-5-18(17)12-16/h1-2,4-5,7-8,12-13,15,23H,3,6,9-11,14H2
InChIKeyLHWQTWBTYTUBGN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.75
Rot. Bonds8

About 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate

2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate (PubChem CID 54034409) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Name2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate
PubChem CID54034409
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate
SMILESO=C(Cn1cncc1CCCO)OCCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O3/c23-10-3-6-19-13-21-15-22(19)14-20(24)25-11-9-16-7-8-17-4-1-2-5-18(17)12-16/h1-2,4-5,7-8,12-13,15,23H,3,6,9-11,14H2
InChIKeyLHWQTWBTYTUBGN-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate 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-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
CID 18670905
methyl-[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl]sulfanium hexafluorophosphate
CID 131721915
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
3-[2-(2-naphthalen-2-ylethoxy)ethylsulfanyl]propan-1-ol
CID 69105625
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
CID 155103964
4-pyren-2-ylbutyl 4-hydroxybutanoate
CID 161260835
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
2-isoquinolin-7-ylethyl 2-methylpropanoate
CID 138464799
3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-naphthalen-2-ylacetate
CID 7828526
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate?
The IUPAC name of 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate (CID 54034409) is 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate.
What is the SMILES notation for 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate?
The canonical SMILES for 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate is O=C(Cn1cncc1CCCO)OCCc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate?
The InChIKey is LHWQTWBTYTUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-10-3-6-19-13-21-15-22(19)14-20(24)25-11-9-16-7-8-17-4-1-2-5-18(17)12-16/h1-2,4-5,7-8,12-13,15,23H,3,6,9-11,14H2.
What are the key properties of 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate?
2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate is sourced from PubChem (CID 54034409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).