2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine

C15H19BrN4S — CID 66847506

IUPAC2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine
SMILESCSC1=NC(c2cccc(Br)c2)(C2CCNCC2)N=C1N
InChIInChI=1S/C15H19BrN4S/c1-21-14-13(17)19-15(20-14,10-5-7-18-8-6-10)11-3-2-4-12(16)9-11/h2-4,9-10,18H,5-8H2,1H3,(H2,17,19)
InChIKeyHOFHINXCVADXMN-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.73
Rot. Bonds2

About 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine

2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine (PubChem CID 66847506) has the molecular formula C15H19BrN4S and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine
PubChem CID66847506
Molecular FormulaC15H19BrN4S
Molecular Weight367.32 g/mol
Exact Mass366.05
IUPAC Name2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine
SMILESCSC1=NC(c2cccc(Br)c2)(C2CCNCC2)N=C1N
InChIInChI=1S/C15H19BrN4S/c1-21-14-13(17)19-15(20-14,10-5-7-18-8-6-10)11-3-2-4-12(16)9-11/h2-4,9-10,18H,5-8H2,1H3,(H2,17,19)
InChIKeyHOFHINXCVADXMN-UHFFFAOYSA-N
XLogP2.73
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine 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-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine?
The IUPAC name of 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine (CID 66847506) is 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine is CSC1=NC(c2cccc(Br)c2)(C2CCNCC2)N=C1N.
What is the InChIKey of 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine?
The InChIKey is HOFHINXCVADXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4S/c1-21-14-13(17)19-15(20-14,10-5-7-18-8-6-10)11-3-2-4-12(16)9-11/h2-4,9-10,18H,5-8H2,1H3,(H2,17,19).
What are the key properties of 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine?
2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine has a molecular weight of 367.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methylsulfanyl-2-piperidin-4-ylimidazol-4-amine is sourced from PubChem (CID 66847506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).