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

C25H47N6P — CID 132500442

About 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

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 (PubChem CID 132500442) has the molecular formula C25H47N6P and a molecular weight of 462.67 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 132500442
• Molecular Formula: C25H47N6P
• Molecular Weight: 462.67 g/mol
• Exact Mass: 462.36
• IUPAC Name: 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
• SMILES: Cc1c(C)n(C(C)C)c(=NP(N=c2n(C(C)C)c(C)c(C)n2C(C)C)C(C)C)n1C(C)C
• InChI: InChI=1S/C25H47N6P/c1-15(2)28-20(11)21(12)29(16(3)4)24(28)26-32(19(9)10)27-25-30(17(5)6)22(13)23(14)31(25)18(7)8/h15-19H,1-14H3
• InChIKey: FWZMXKCCNJHFDU-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 44.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.67
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1c(C)n(C(C)C)c(=NP(N=c2n(C(C)C)c(C)c(C)n2C(C)C)C(C)C)n1C(C)C.

What is the InChIKey of 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?

The InChIKey is FWZMXKCCNJHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N6P/c1-15(2)28-20(11)21(12)29(16(3)4)24(28)26-32(19(9)10)27-25-30(17(5)6)22(13)23(14)31(25)18(7)8/h15-19H,1-14H3.

What are the key properties of 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?

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 has a molecular weight of 462.67 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 132500442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).