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

C15H20N2S — CID 5279304

IUPAC4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione
SMILESCc1cc(C)cc(Cc2[nH]c(=S)[nH]c2C(C)C)c1
InChIInChI=1S/C15H20N2S/c1-9(2)14-13(16-15(18)17-14)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18)
InChIKeyJCISVXJNCCQILM-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.40
Rot. Bonds3

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

4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione (PubChem CID 5279304) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione
PubChem CID5279304
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione
SMILESCc1cc(C)cc(Cc2[nH]c(=S)[nH]c2C(C)C)c1
InChIInChI=1S/C15H20N2S/c1-9(2)14-13(16-15(18)17-14)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18)
InChIKeyJCISVXJNCCQILM-UHFFFAOYSA-N
XLogP4.40
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.40
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

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Agn 203818
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione (CID 5279304) is 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione is Cc1cc(C)cc(Cc2[nH]c(=S)[nH]c2C(C)C)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione?
The InChIKey is JCISVXJNCCQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-9(2)14-13(16-15(18)17-14)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione?
4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.40, 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-propan-2-yl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 5279304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).