dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane

C17H27N2OP — CID 58793819

IUPACdimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane
SMILESCC(C)[C@H]1CN(c2ccccc2)C(C(C)(C)OP(C)C)=N1
InChIInChI=1S/C17H27N2OP/c1-13(2)15-12-19(14-10-8-7-9-11-14)16(18-15)17(3,4)20-21(5)6/h7-11,13,15H,12H2,1-6H3/t15-/m1/s1
InChIKeyZNZMOHCOBYRASN-OAHLLOKOSA-N
MW306.39 g/mol
LogP4.38
Rot. Bonds5

About dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane

dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane (PubChem CID 58793819) has the molecular formula C17H27N2OP and a molecular weight of 306.39 g/mol. Its IUPAC name is dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane.

Molecular Properties

Compound Namedimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane
PubChem CID58793819
Molecular FormulaC17H27N2OP
Molecular Weight306.39 g/mol
Exact Mass306.19
IUPAC Namedimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane
SMILESCC(C)[C@H]1CN(c2ccccc2)C(C(C)(C)OP(C)C)=N1
InChIInChI=1S/C17H27N2OP/c1-13(2)15-12-19(14-10-8-7-9-11-14)16(18-15)17(3,4)20-21(5)6/h7-11,13,15H,12H2,1-6H3/t15-/m1/s1
InChIKeyZNZMOHCOBYRASN-OAHLLOKOSA-N
XLogP4.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.38
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 dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane?
The IUPAC name of dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane (CID 58793819) is dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane.
What is the SMILES notation for dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane?
The canonical SMILES for dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane is CC(C)[C@H]1CN(c2ccccc2)C(C(C)(C)OP(C)C)=N1.
What is the InChIKey of dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane?
The InChIKey is ZNZMOHCOBYRASN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N2OP/c1-13(2)15-12-19(14-10-8-7-9-11-14)16(18-15)17(3,4)20-21(5)6/h7-11,13,15H,12H2,1-6H3/t15-/m1/s1.
What are the key properties of dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane?
dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane has a molecular weight of 306.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]propan-2-yloxy]phosphane is sourced from PubChem (CID 58793819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).