2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole

C11H18N4S — CID 155166541

IUPAC2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole
SMILESCC1(C)CN=C(SCCCn2ccnc2)N1
InChIInChI=1S/C11H18N4S/c1-11(2)8-13-10(14-11)16-7-3-5-15-6-4-12-9-15/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyCWXZBMCXAHTWJW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole

2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole (PubChem CID 155166541) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole
PubChem CID155166541
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole
SMILESCC1(C)CN=C(SCCCn2ccnc2)N1
InChIInChI=1S/C11H18N4S/c1-11(2)8-13-10(14-11)16-7-3-5-15-6-4-12-9-15/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyCWXZBMCXAHTWJW-UHFFFAOYSA-N
XLogP1.74
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole 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 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole?
The IUPAC name of 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole (CID 155166541) is 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole is CC1(C)CN=C(SCCCn2ccnc2)N1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole?
The InChIKey is CWXZBMCXAHTWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-11(2)8-13-10(14-11)16-7-3-5-15-6-4-12-9-15/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole?
2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole has a molecular weight of 238.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylsulfanyl)-5,5-dimethyl-1,4-dihydroimidazole is sourced from PubChem (CID 155166541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).