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

C16H21N3OS — CID 114400972

IUPAC3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione
SMILESCCN1CCOC(Cn2c(-c3ccccc3)c[nH]c2=S)C1
InChIInChI=1S/C16H21N3OS/c1-2-18-8-9-20-14(11-18)12-19-15(10-17-16(19)21)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,17,21)
InChIKeyGJNDLSFUCPHDLK-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.93
Rot. Bonds4

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

3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione (PubChem CID 114400972) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione
PubChem CID114400972
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione
SMILESCCN1CCOC(Cn2c(-c3ccccc3)c[nH]c2=S)C1
InChIInChI=1S/C16H21N3OS/c1-2-18-8-9-20-14(11-18)12-19-15(10-17-16(19)21)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,17,21)
InChIKeyGJNDLSFUCPHDLK-UHFFFAOYSA-N
XLogP2.93
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-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

Related Compounds

N-(Diphenylmethyl)-N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 3396611
5-Benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
CID 1861041
5-Benzyl-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1865887
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
N,N-dibenzyl-N'-(3-morpholin-4-ylpropyl)thiourea
CID 4623334
N-(4-butylphenyl)-N'-[3-(4-morpholinyl)propyl]thiourea
CID 2192297
1-(8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(3-methoxypropyl)thiourea
CID 3217773
N-(1-phenylethyl)-4-morpholinecarbothioamide
CID 3516950
1-Cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 4018268
N-(4-methylbenzyl)-4-morpholinecarbothioamide
CID 971550
1-Benzyl-3-[2-(morpholin-4-yl)ethyl]-1-propan-2-ylthiourea
CID 714755
N-(4-methylphenyl)-N'-[3-(4-morpholinyl)propyl]thiourea
CID 2257831

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione (CID 114400972) is 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione is CCN1CCOC(Cn2c(-c3ccccc3)c[nH]c2=S)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione?
The InChIKey is GJNDLSFUCPHDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-18-8-9-20-14(11-18)12-19-15(10-17-16(19)21)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,17,21).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione?
3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione has a molecular weight of 303.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 114400972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).