N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine

C25H28N3P — CID 122386375

IUPACN-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine
SMILESCC(C)n1c(=NP(c2ccccc2)c2ccccc2)n(C(C)C)c2ccccc21
InChIInChI=1S/C25H28N3P/c1-19(2)27-23-17-11-12-18-24(23)28(20(3)4)25(27)26-29(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3
InChIKeyDZZXWNWZZKRDKY-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.55
Rot. Bonds5

About N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine

N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine (PubChem CID 122386375) has the molecular formula C25H28N3P and a molecular weight of 401.49 g/mol. Its IUPAC name is N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine.

Molecular Properties

Compound NameN-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine
PubChem CID122386375
Molecular FormulaC25H28N3P
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC NameN-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine
SMILESCC(C)n1c(=NP(c2ccccc2)c2ccccc2)n(C(C)C)c2ccccc21
InChIInChI=1S/C25H28N3P/c1-19(2)27-23-17-11-12-18-24(23)28(20(3)4)25(27)26-29(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3
InChIKeyDZZXWNWZZKRDKY-UHFFFAOYSA-N
XLogP5.55
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine
CID 167077140
N-[butyl(tert-butyl)phosphanyl]-1,3-di(propan-2-yl)benzimidazol-2-imine
CID 155201396
1,3-di(propan-2-yl)benzimidazol-2-imine
CID 139205352
N-[[[1,3-di(propan-2-yl)benzimidazol-2-ylidene]amino]-propan-2-ylphosphanyl]-1,3-di(propan-2-yl)benzimidazol-3-ium-2-amine
CID 132500443
N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
CID 170636625
N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide
CID 67703012
N-[[[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]amino]-propan-2-ylphosphanyl]-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 132500442
azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine
CID 164987063
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
CID 155708277
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine?
The IUPAC name of N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine (CID 122386375) is N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine.
What is the SMILES notation for N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine?
The canonical SMILES for N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine is CC(C)n1c(=NP(c2ccccc2)c2ccccc2)n(C(C)C)c2ccccc21.
What is the InChIKey of N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine?
The InChIKey is DZZXWNWZZKRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N3P/c1-19(2)27-23-17-11-12-18-24(23)28(20(3)4)25(27)26-29(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3.
What are the key properties of N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine?
N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine has a molecular weight of 401.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine is sourced from PubChem (CID 122386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).