3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one

C17H23N3O — CID 64752407

IUPAC3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one
SMILESCC1CC(C)CC(Nc2ccc(-n3cc[nH]c3=O)cc2)C1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)11-15(10-12)19-14-3-5-16(6-4-14)20-8-7-18-17(20)21/h3-8,12-13,15,19H,9-11H2,1-2H3,(H,18,21)
InChIKeyRAFMCRGWJBLTHS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds3

About 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one

3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one (PubChem CID 64752407) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one
PubChem CID64752407
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one
SMILESCC1CC(C)CC(Nc2ccc(-n3cc[nH]c3=O)cc2)C1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)11-15(10-12)19-14-3-5-16(6-4-14)20-8-7-18-17(20)21/h3-8,12-13,15,19H,9-11H2,1-2H3,(H,18,21)
InChIKeyRAFMCRGWJBLTHS-UHFFFAOYSA-N
XLogP3.40
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one (CID 64752407) is 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one is CC1CC(C)CC(Nc2ccc(-n3cc[nH]c3=O)cc2)C1.
What is the InChIKey of 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one?
The InChIKey is RAFMCRGWJBLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-13(2)11-15(10-12)19-14-3-5-16(6-4-14)20-8-7-18-17(20)21/h3-8,12-13,15,19H,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one?
3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 64752407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).