1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone

C23H21N2OP — CID 122452581

IUPAC1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCC(=O)n1c(P(c2ccccc2)c2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C23H21N2OP/c1-16-14-21-22(15-17(16)2)25(18(3)26)23(24-21)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyUWCGKLAVMUKXDL-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone

1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone (PubChem CID 122452581) has the molecular formula C23H21N2OP and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone
PubChem CID122452581
Molecular FormulaC23H21N2OP
Molecular Weight372.41 g/mol
Exact Mass372.14
IUPAC Name1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCC(=O)n1c(P(c2ccccc2)c2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C23H21N2OP/c1-16-14-21-22(15-17(16)2)25(18(3)26)23(24-21)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyUWCGKLAVMUKXDL-UHFFFAOYSA-N
XLogP4.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone (CID 122452581) is 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone is CC(=O)n1c(P(c2ccccc2)c2ccccc2)nc2cc(C)c(C)cc21.
What is the InChIKey of 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone?
The InChIKey is UWCGKLAVMUKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2OP/c1-16-14-21-22(15-17(16)2)25(18(3)26)23(24-21)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone?
1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone has a molecular weight of 372.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 122452581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).