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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Related Compounds

lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
CID 102492610
2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 140703360
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063379
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843
N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
CID 144725386
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 159306749
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
1-fluoropropane;2-[5-(4-methylphenyl)sulfanyl-2-(2,2,3-trimethylpentan-3-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 144714660

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).