cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone

C42H51N2OP — CID 102192619

IUPACcyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1C(/C(=C\c2ccccc2)P(C2CCCCC2)C2CCCCC2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C42H51N2OP/c45-42(35-25-13-4-14-26-35)44-40(34-23-11-3-12-24-34)39(33-21-9-2-10-22-33)43-41(44)38(31-32-19-7-1-8-20-32)46(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-3,7-12,19-24,31,35-37,39-40H,4-6,13-18,25-30H2/b38-31+/t39-,40-/m0/s1
InChIKeyZAKUYNZDVQJSKV-FRSTWQPJSA-N
MW630.86 g/mol
LogP11.48
Rot. Bonds8

About cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone

cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 102192619) has the molecular formula C42H51N2OP and a molecular weight of 630.86 g/mol. Its IUPAC name is cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone
PubChem CID102192619
Molecular FormulaC42H51N2OP
Molecular Weight630.86 g/mol
Exact Mass630.37
IUPAC Namecyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1C(/C(=C\c2ccccc2)P(C2CCCCC2)C2CCCCC2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C42H51N2OP/c45-42(35-25-13-4-14-26-35)44-40(34-23-11-3-12-24-34)39(33-21-9-2-10-22-33)43-41(44)38(31-32-19-7-1-8-20-32)46(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-3,7-12,19-24,31,35-37,39-40H,4-6,13-18,25-30H2/b38-31+/t39-,40-/m0/s1
InChIKeyZAKUYNZDVQJSKV-FRSTWQPJSA-N
XLogP11.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.86
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[(4S,5S)-2-(1-dicyclohexylphosphanylnaphthalen-2-yl)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone
CID 24767228
dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620468
(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
CID 15445735
[(4S,5S)-2-(2-dicyclohexylphosphanylphenyl)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 101460255
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
2-cyclohexyl-3-phenylprop-2-enal
CID 85353011
2-(cyclopentanecarbonyl)-3-phenylprop-2-enoic acid
CID 144576861
2-benzylidene-1-cyclohexylbutane-1,3-dione
CID 134963614
1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane
CID 140526826
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 10152795
cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone
CID 24955029
1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone
CID 59655347

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone (CID 102192619) is cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone is O=C(C1CCCCC1)N1C(/C(=C\c2ccccc2)P(C2CCCCC2)C2CCCCC2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is ZAKUYNZDVQJSKV-FRSTWQPJSA-N. The full InChI is InChI=1S/C42H51N2OP/c45-42(35-25-13-4-14-26-35)44-40(34-23-11-3-12-24-34)39(33-21-9-2-10-22-33)43-41(44)38(31-32-19-7-1-8-20-32)46(36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-3,7-12,19-24,31,35-37,39-40H,4-6,13-18,25-30H2/b38-31+/t39-,40-/m0/s1.
What are the key properties of cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone?
cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 630.86 g/mol, XLogP of 11.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4S,5S)-2-[(E)-1-dicyclohexylphosphanyl-2-phenylethenyl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 102192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).