ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane

C20H31N2P — CID 11370929

IUPACditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
SMILESCc1cc(C)c(-n2ccnc2P(C(C)(C)C)C(C)(C)C)c(C)c1
InChIInChI=1S/C20H31N2P/c1-14-12-15(2)17(16(3)13-14)22-11-10-21-18(22)23(19(4,5)6)20(7,8)9/h10-13H,1-9H3
InChIKeyKPVSJXJPQXJIGQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.50
Rot. Bonds2

About ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane

ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane (PubChem CID 11370929) has the molecular formula C20H31N2P and a molecular weight of 330.46 g/mol. Its IUPAC name is ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
PubChem CID11370929
Molecular FormulaC20H31N2P
Molecular Weight330.46 g/mol
Exact Mass330.22
IUPAC Nameditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
SMILESCc1cc(C)c(-n2ccnc2P(C(C)(C)C)C(C)(C)C)c(C)c1
InChIInChI=1S/C20H31N2P/c1-14-12-15(2)17(16(3)13-14)22-11-10-21-18(22)23(19(4,5)6)20(7,8)9/h10-13H,1-9H3
InChIKeyKPVSJXJPQXJIGQ-UHFFFAOYSA-N
XLogP5.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.50
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 ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane?
The IUPAC name of ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane (CID 11370929) is ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane.
What is the SMILES notation for ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane?
The canonical SMILES for ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane is Cc1cc(C)c(-n2ccnc2P(C(C)(C)C)C(C)(C)C)c(C)c1.
What is the InChIKey of ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane?
The InChIKey is KPVSJXJPQXJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N2P/c1-14-12-15(2)17(16(3)13-14)22-11-10-21-18(22)23(19(4,5)6)20(7,8)9/h10-13H,1-9H3.
What are the key properties of ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane?
ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane has a molecular weight of 330.46 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane is sourced from PubChem (CID 11370929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).