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'}

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Related Compounds

1-(4-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazole-2-thione
CID 46809593
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
1-(4-methoxyphenyl)-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazole-2-thione
CID 17477615
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357
2-[(2-ethylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 42884793
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 59376224
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
2,4-diethylmorpholine
CID 58988021
[2-(2-ethylmorpholin-4-yl)-4-methoxyphenyl]methanamine
CID 81299705
2-[[(2R)-2-ethylmorpholin-4-yl]methyl]-5-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-thione
CID 124839097
(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
CID 31016043

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).