4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione

C14H18N2S — CID 5279303

IUPAC4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H18N2S/c1-4-12-13(16-14(17)15-12)8-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H2,15,16,17)
InChIKeySXZNGCRJMVEPOR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.84
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione

4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione (PubChem CID 5279303) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione
PubChem CID5279303
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H18N2S/c1-4-12-13(16-14(17)15-12)8-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H2,15,16,17)
InChIKeySXZNGCRJMVEPOR-UHFFFAOYSA-N
XLogP3.84
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rezatomidine
CID 11287722
N-methyl-N'-phenethylthiourea
CID 2725299
N-methyl-N'-(3-phenylpropyl)thiourea
CID 2239914
N-(tert-butyl)-N'-(2-phenylethyl)thiourea
CID 972345
1-(2-Methylpropyl)-3-(2-phenylethyl)thiourea
CID 5150824
2H-Imidazole-2-thione, 1,3-dihydro-4-(phenylmethyl)-
CID 3022080
5-(2-Phenylethyl)-1H-imidazole-2-thiol
CID 13290699
4-benzyl-3-ethyl-5-isopropyl-1H-imidazole-2-thione
CID 5279301
4-[(3,5-Dimethylphenyl)methyl]-5-isopropyl-1,3-dihydroimidazole-2-thione
CID 5279304
1-(2-Phenylethyl)-3-propan-2-ylthiourea
CID 13578709
Agn 203818
CID 76970479
1,3-Dihydro-4-ethyl-5-[3,4-difluoro(thiobenzoyl)]-2H-imidazole-2-thione
CID 20487524

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione (CID 5279303) is 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione is CCc1[nH]c(=S)[nH]c1Cc1cc(C)cc(C)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione?
The InChIKey is SXZNGCRJMVEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-12-13(16-14(17)15-12)8-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione?
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione has a molecular weight of 246.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 5279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).