(1-methylimidazol-2-yl)-triphenylphosphanium

C22H20N2P+ — CID 91195855

IUPAC(1-methylimidazol-2-yl)-triphenylphosphanium
SMILESCn1ccnc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2P/c1-24-18-17-23-22(24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/q+1
InChIKeyPHGXPSYQPYHGRD-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.04
Rot. Bonds4

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

(1-methylimidazol-2-yl)-triphenylphosphanium (PubChem CID 91195855) has the molecular formula C22H20N2P+ and a molecular weight of 343.39 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-triphenylphosphanium
PubChem CID91195855
Molecular FormulaC22H20N2P+
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name(1-methylimidazol-2-yl)-triphenylphosphanium
SMILESCn1ccnc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2P/c1-24-18-17-23-22(24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/q+1
InChIKeyPHGXPSYQPYHGRD-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.04
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)-triphenylphosphanium?
The IUPAC name of (1-methylimidazol-2-yl)-triphenylphosphanium (CID 91195855) is (1-methylimidazol-2-yl)-triphenylphosphanium.
What is the SMILES notation for (1-methylimidazol-2-yl)-triphenylphosphanium?
The canonical SMILES for (1-methylimidazol-2-yl)-triphenylphosphanium is Cn1ccnc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylimidazol-2-yl)-triphenylphosphanium?
The InChIKey is PHGXPSYQPYHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2P/c1-24-18-17-23-22(24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/q+1.
What are the key properties of (1-methylimidazol-2-yl)-triphenylphosphanium?
(1-methylimidazol-2-yl)-triphenylphosphanium has a molecular weight of 343.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-triphenylphosphanium is sourced from PubChem (CID 91195855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).