1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine

C21H34N4S — CID 145118242

IUPAC1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCC(C)CN1CCN(C2=NCCN2Sc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N4S/c1-5-18(4)16-23-12-14-24(15-13-23)21-22-10-11-25(21)26-20-8-6-19(7-9-20)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3
InChIKeyQAHQJFRUBFBEGO-UHFFFAOYSA-N
MW374.60 g/mol
LogP4.15
Rot. Bonds6

About 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine

1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 145118242) has the molecular formula C21H34N4S and a molecular weight of 374.60 g/mol. Its IUPAC name is 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID145118242
Molecular FormulaC21H34N4S
Molecular Weight374.60 g/mol
Exact Mass374.25
IUPAC Name1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCC(C)CN1CCN(C2=NCCN2Sc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N4S/c1-5-18(4)16-23-12-14-24(15-13-23)21-22-10-11-25(21)26-20-8-6-19(7-9-20)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3
InChIKeyQAHQJFRUBFBEGO-UHFFFAOYSA-N
XLogP4.15
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine 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 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (CID 145118242) is 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is CCC(C)CN1CCN(C2=NCCN2Sc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is QAHQJFRUBFBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4S/c1-5-18(4)16-23-12-14-24(15-13-23)21-22-10-11-25(21)26-20-8-6-19(7-9-20)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3.
What are the key properties of 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 374.60 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 145118242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).