cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone

C40H61N2OP — CID 24955029

IUPACcyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1C(c2ccccc2P(C2CCCCC2)C2CCCCC2)=N[C@H](C2CCCCC2)[C@H]1C1CCCCC1
InChIInChI=1S/C40H61N2OP/c43-40(32-22-10-3-11-23-32)42-38(31-20-8-2-9-21-31)37(30-18-6-1-7-19-30)41-39(42)35-28-16-17-29-36(35)44(33-24-12-4-13-25-33)34-26-14-5-15-27-34/h16-17,28-34,37-38H,1-15,18-27H2/t37-,38-/m1/s1
InChIKeyIJZCNIFWZXYFAW-XPSQVAKYSA-N
MW616.92 g/mol
LogP10.53
Rot. Bonds7

About cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone

cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 24955029) has the molecular formula C40H61N2OP and a molecular weight of 616.92 g/mol. Its IUPAC name is cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID24955029
Molecular FormulaC40H61N2OP
Molecular Weight616.92 g/mol
Exact Mass616.45
IUPAC Namecyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1C(c2ccccc2P(C2CCCCC2)C2CCCCC2)=N[C@H](C2CCCCC2)[C@H]1C1CCCCC1
InChIInChI=1S/C40H61N2OP/c43-40(32-22-10-3-11-23-32)42-38(31-20-8-2-9-21-31)37(30-18-6-1-7-19-30)41-39(42)35-28-16-17-29-36(35)44(33-24-12-4-13-25-33)34-26-14-5-15-27-34/h16-17,28-34,37-38H,1-15,18-27H2/t37-,38-/m1/s1
InChIKeyIJZCNIFWZXYFAW-XPSQVAKYSA-N
XLogP10.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.92
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone (CID 24955029) is cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone is O=C(C1CCCCC1)N1C(c2ccccc2P(C2CCCCC2)C2CCCCC2)=N[C@H](C2CCCCC2)[C@H]1C1CCCCC1.
What is the InChIKey of cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is IJZCNIFWZXYFAW-XPSQVAKYSA-N. The full InChI is InChI=1S/C40H61N2OP/c43-40(32-22-10-3-11-23-32)42-38(31-20-8-2-9-21-31)37(30-18-6-1-7-19-30)41-39(42)35-28-16-17-29-36(35)44(33-24-12-4-13-25-33)34-26-14-5-15-27-34/h16-17,28-34,37-38H,1-15,18-27H2/t37-,38-/m1/s1.
What are the key properties of cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 616.92 g/mol, XLogP of 10.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4R,5R)-4,5-dicyclohexyl-2-(2-dicyclohexylphosphanylphenyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 24955029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).