1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one

C17H23N3O — CID 1454432

IUPAC1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one
SMILESCc1ccc(C)c(NC2=NCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C17H23N3O/c1-12-8-9-13(2)15(10-12)19-17-18-11-16(21)20(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyRQNUGINKJMNAPR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds2

About 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one

1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one (PubChem CID 1454432) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one
PubChem CID1454432
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one
SMILESCc1ccc(C)c(NC2=NCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C17H23N3O/c1-12-8-9-13(2)15(10-12)19-17-18-11-16(21)20(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyRQNUGINKJMNAPR-UHFFFAOYSA-N
XLogP3.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one (CID 1454432) is 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one is Cc1ccc(C)c(NC2=NCC(=O)N2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one?
The InChIKey is RQNUGINKJMNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-9-13(2)15(10-12)19-17-18-11-16(21)20(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one?
1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one has a molecular weight of 285.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,5-dimethylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 1454432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).