2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one

C25H35Cl2N3O — CID 76581120

IUPAC2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one
SMILESNC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H35Cl2N3O/c26-21-13-20(14-22(27)15-21)17-30-23(31)25(29-24(30)28,16-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h13-15,18-19H,1-12,16-17H2,(H2,28,29)
InChIKeyIGXPNZZIGILIGZ-UHFFFAOYSA-N
MW464.48 g/mol
LogP6.72
Rot. Bonds7

About 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one

2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one (PubChem CID 76581120) has the molecular formula C25H35Cl2N3O and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one
PubChem CID76581120
Molecular FormulaC25H35Cl2N3O
Molecular Weight464.48 g/mol
Exact Mass463.22
IUPAC Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one
SMILESNC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H35Cl2N3O/c26-21-13-20(14-22(27)15-21)17-30-23(31)25(29-24(30)28,16-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h13-15,18-19H,1-12,16-17H2,(H2,28,29)
InChIKeyIGXPNZZIGILIGZ-UHFFFAOYSA-N
XLogP6.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one (CID 76581120) is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one is NC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one?
The InChIKey is IGXPNZZIGILIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35Cl2N3O/c26-21-13-20(14-22(27)15-21)17-30-23(31)25(29-24(30)28,16-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h13-15,18-19H,1-12,16-17H2,(H2,28,29).
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one has a molecular weight of 464.48 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one is sourced from PubChem (CID 76581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).