(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane

C26H21N2P — CID 58555925

IUPAC(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane
SMILESCn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C26H21N2P/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-19H,1H3
InChIKeyHZRGMQGCNIIOSN-UHFFFAOYSA-N
MW392.44 g/mol
LogP5.00
Rot. Bonds4

About (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane

(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane (PubChem CID 58555925) has the molecular formula C26H21N2P and a molecular weight of 392.44 g/mol. Its IUPAC name is (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane
PubChem CID58555925
Molecular FormulaC26H21N2P
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane
SMILESCn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C26H21N2P/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-19H,1H3
InChIKeyHZRGMQGCNIIOSN-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 55.00
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-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane?
The IUPAC name of (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane (CID 58555925) is (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane.
What is the SMILES notation for (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane?
The canonical SMILES for (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane is Cn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane?
The InChIKey is HZRGMQGCNIIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N2P/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-19H,1H3.
What are the key properties of (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane?
(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane has a molecular weight of 392.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane is sourced from PubChem (CID 58555925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).