5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one

C11H19N3O — CID 79960318

IUPAC5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one
SMILESCC1CCCC(C2C(N)=NC(=O)N2C)C1
InChIInChI=1S/C11H19N3O/c1-7-4-3-5-8(6-7)9-10(12)13-11(15)14(9)2/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyIMCQMFSZIVVLHL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds1

About 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one

5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one (PubChem CID 79960318) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one
PubChem CID79960318
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one
SMILESCC1CCCC(C2C(N)=NC(=O)N2C)C1
InChIInChI=1S/C11H19N3O/c1-7-4-3-5-8(6-7)9-10(12)13-11(15)14(9)2/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyIMCQMFSZIVVLHL-UHFFFAOYSA-N
XLogP1.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-cyclopentyl-3-ethyl-4H-imidazol-2-one
CID 79967090
5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
CID 79968357
5-(3-methylcyclohexyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79509635
4-imino-5-(3-methylcyclohexyl)-1-propylimidazolidin-2-one
CID 138388397
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964
1-ethyl-5-(3-methylcyclohexyl)-4,5-dihydroimidazol-2-amine
CID 79509397
2-cyclopentyl-5-methyl-3-[2-(3-methylcyclohexyl)ethyl]imidazolidin-4-one
CID 83264110
4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390634
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
CID 66106098
(1R)-1,3-dimethylcyclohexane
CID 12594306
3-(3-methylcyclohexyl)oxolane-2,5-dione
CID 87723584
(5R)-2,5-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 139498091

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one (CID 79960318) is 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one is CC1CCCC(C2C(N)=NC(=O)N2C)C1.
What is the InChIKey of 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one?
The InChIKey is IMCQMFSZIVVLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-4-3-5-8(6-7)9-10(12)13-11(15)14(9)2/h7-9H,3-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one?
5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).