2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline

C24H26N3P — CID 138547451

IUPAC2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline
SMILESCN1C=CN(CN(C)c2ccccc2P(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H26N3P/c1-25-17-18-27(19-25)20-26(2)23-15-9-10-16-24(23)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18H,19-20H2,1-2H3
InChIKeyFBWONHFWSXKBSV-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.51
Rot. Bonds6

About 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline

2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline (PubChem CID 138547451) has the molecular formula C24H26N3P and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline
PubChem CID138547451
Molecular FormulaC24H26N3P
Molecular Weight387.47 g/mol
Exact Mass387.19
IUPAC Name2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline
SMILESCN1C=CN(CN(C)c2ccccc2P(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H26N3P/c1-25-17-18-27(19-25)20-26(2)23-15-9-10-16-24(23)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18H,19-20H2,1-2H3
InChIKeyFBWONHFWSXKBSV-UHFFFAOYSA-N
XLogP3.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.51
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 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline?
The IUPAC name of 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline (CID 138547451) is 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline.
What is the SMILES notation for 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline?
The canonical SMILES for 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline is CN1C=CN(CN(C)c2ccccc2P(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline?
The InChIKey is FBWONHFWSXKBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3P/c1-25-17-18-27(19-25)20-26(2)23-15-9-10-16-24(23)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18H,19-20H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline?
2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline has a molecular weight of 387.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline is sourced from PubChem (CID 138547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).