(1-methylimidazol-2-yl)-diphenylphosphane

C16H15N2P — CID 3610633

IUPAC(1-methylimidazol-2-yl)-diphenylphosphane
SMILESCn1ccnc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N2P/c1-18-13-12-17-16(18)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyXETUDUREHZVDEM-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.18
Rot. Bonds3

About (1-methylimidazol-2-yl)-diphenylphosphane

(1-methylimidazol-2-yl)-diphenylphosphane (PubChem CID 3610633) has the molecular formula C16H15N2P and a molecular weight of 266.28 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-diphenylphosphane
PubChem CID3610633
Molecular FormulaC16H15N2P
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name(1-methylimidazol-2-yl)-diphenylphosphane
SMILESCn1ccnc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N2P/c1-18-13-12-17-16(18)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyXETUDUREHZVDEM-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.18
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 (1-methylimidazol-2-yl)-diphenylphosphane?
The IUPAC name of (1-methylimidazol-2-yl)-diphenylphosphane (CID 3610633) is (1-methylimidazol-2-yl)-diphenylphosphane.
What is the SMILES notation for (1-methylimidazol-2-yl)-diphenylphosphane?
The canonical SMILES for (1-methylimidazol-2-yl)-diphenylphosphane is Cn1ccnc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylimidazol-2-yl)-diphenylphosphane?
The InChIKey is XETUDUREHZVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2P/c1-18-13-12-17-16(18)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-diphenylphosphane?
(1-methylimidazol-2-yl)-diphenylphosphane has a molecular weight of 266.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-diphenylphosphane is sourced from PubChem (CID 3610633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).