[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane

C35H49N2P — CID 155672146

IUPAC[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccccc1C1(c2ccccc2C)CN=C(C2(P(C3CCCCC3)C3CCCCC3)CCCCC2)N1
InChIInChI=1S/C35H49N2P/c1-27-16-10-12-22-31(27)35(32-23-13-11-17-28(32)2)26-36-33(37-35)34(24-14-5-15-25-34)38(29-18-6-3-7-19-29)30-20-8-4-9-21-30/h10-13,16-17,22-23,29-30H,3-9,14-15,18-21,24-26H2,1-2H3,(H,36,37)
InChIKeyZXPHRBZAICPQIC-UHFFFAOYSA-N
MW528.77 g/mol
LogP9.40
Rot. Bonds6

About [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane

[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane (PubChem CID 155672146) has the molecular formula C35H49N2P and a molecular weight of 528.77 g/mol. Its IUPAC name is [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane
PubChem CID155672146
Molecular FormulaC35H49N2P
Molecular Weight528.77 g/mol
Exact Mass528.36
IUPAC Name[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccccc1C1(c2ccccc2C)CN=C(C2(P(C3CCCCC3)C3CCCCC3)CCCCC2)N1
InChIInChI=1S/C35H49N2P/c1-27-16-10-12-22-31(27)35(32-23-13-11-17-28(32)2)26-36-33(37-35)34(24-14-5-15-25-34)38(29-18-6-3-7-19-29)30-20-8-4-9-21-30/h10-13,16-17,22-23,29-30H,3-9,14-15,18-21,24-26H2,1-2H3,(H,36,37)
InChIKeyZXPHRBZAICPQIC-UHFFFAOYSA-N
XLogP9.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 59.40
H-Bond Donors ≤ 51
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 [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane?
The IUPAC name of [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane (CID 155672146) is [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane.
What is the SMILES notation for [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane?
The canonical SMILES for [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane is Cc1ccccc1C1(c2ccccc2C)CN=C(C2(P(C3CCCCC3)C3CCCCC3)CCCCC2)N1.
What is the InChIKey of [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane?
The InChIKey is ZXPHRBZAICPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N2P/c1-27-16-10-12-22-31(27)35(32-23-13-11-17-28(32)2)26-36-33(37-35)34(24-14-5-15-25-34)38(29-18-6-3-7-19-29)30-20-8-4-9-21-30/h10-13,16-17,22-23,29-30H,3-9,14-15,18-21,24-26H2,1-2H3,(H,36,37).
What are the key properties of [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane?
[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane has a molecular weight of 528.77 g/mol, XLogP of 9.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane is sourced from PubChem (CID 155672146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).