1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione

C17H23N3O2S — CID 43054737

IUPAC1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione
SMILESCCC1CN(Cn2ccn(-c3ccc(OC)cc3)c2=S)CCO1
InChIInChI=1S/C17H23N3O2S/c1-3-15-12-18(10-11-22-15)13-19-8-9-20(17(19)23)14-4-6-16(21-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3
InChIKeyNONBZMDSIDITNM-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.09
Rot. Bonds5

About 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione

1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione (PubChem CID 43054737) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione.

Molecular Properties

Compound Name1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione
PubChem CID43054737
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione
SMILESCCC1CN(Cn2ccn(-c3ccc(OC)cc3)c2=S)CCO1
InChIInChI=1S/C17H23N3O2S/c1-3-15-12-18(10-11-22-15)13-19-8-9-20(17(19)23)14-4-6-16(21-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3
InChIKeyNONBZMDSIDITNM-UHFFFAOYSA-N
XLogP3.09
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione?
The IUPAC name of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione (CID 43054737) is 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione.
What is the SMILES notation for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione?
The canonical SMILES for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione is CCC1CN(Cn2ccn(-c3ccc(OC)cc3)c2=S)CCO1.
What is the InChIKey of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione?
The InChIKey is NONBZMDSIDITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-15-12-18(10-11-22-15)13-19-8-9-20(17(19)23)14-4-6-16(21-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3.
What are the key properties of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione?
1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione has a molecular weight of 333.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione is sourced from PubChem (CID 43054737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).