bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane

C15H16N5PS — CID 2998580

IUPACbis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccn(C)c1)c1nccn1C=C
InChIInChI=1S/C15H16N5PS/c1-4-19-10-7-16-14(19)21(22,13-6-9-18(3)12-13)15-17-8-11-20(15)5-2/h4-12H,1-2H2,3H3
InChIKeyJQKSXQJUSYSINB-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.37
Rot. Bonds5

About bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane

bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 2998580) has the molecular formula C15H16N5PS and a molecular weight of 329.37 g/mol. Its IUPAC name is bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane
PubChem CID2998580
Molecular FormulaC15H16N5PS
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Namebis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccn(C)c1)c1nccn1C=C
InChIInChI=1S/C15H16N5PS/c1-4-19-10-7-16-14(19)21(22,13-6-9-18(3)12-13)15-17-8-11-20(15)5-2/h4-12H,1-2H2,3H3
InChIKeyJQKSXQJUSYSINB-UHFFFAOYSA-N
XLogP1.37
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane 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 bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane (CID 2998580) is bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane is C=Cn1ccnc1P(=S)(c1ccn(C)c1)c1nccn1C=C.
What is the InChIKey of bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is JQKSXQJUSYSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N5PS/c1-4-19-10-7-16-14(19)21(22,13-6-9-18(3)12-13)15-17-8-11-20(15)5-2/h4-12H,1-2H2,3H3.
What are the key properties of bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane?
bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 329.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenylimidazol-2-yl)-(1-methylpyrrol-3-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2998580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).