[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane

C23H21N2P — CID 102486165

IUPAC[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane
SMILESCc1ncn(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c1C
InChIInChI=1S/C23H21N2P/c1-18-19(2)25(17-24-18)20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3
InChIKeyPVDZDMNXTITFRM-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.25
Rot. Bonds4

About [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane

[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane (PubChem CID 102486165) has the molecular formula C23H21N2P and a molecular weight of 356.41 g/mol. Its IUPAC name is [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane
PubChem CID102486165
Molecular FormulaC23H21N2P
Molecular Weight356.41 g/mol
Exact Mass356.14
IUPAC Name[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane
SMILESCc1ncn(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c1C
InChIInChI=1S/C23H21N2P/c1-18-19(2)25(17-24-18)20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3
InChIKeyPVDZDMNXTITFRM-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane (CID 102486165) is [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane is Cc1ncn(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c1C.
What is the InChIKey of [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane?
The InChIKey is PVDZDMNXTITFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2P/c1-18-19(2)25(17-24-18)20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3.
What are the key properties of [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane?
[4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane has a molecular weight of 356.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethylimidazol-1-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 102486165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).