5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one

C13H23N3O — CID 79968357

IUPAC5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyFXGNXJMBKRHHFY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.53
Rot. Bonds2

About 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one

5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79968357) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79968357
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyFXGNXJMBKRHHFY-UHFFFAOYSA-N
XLogP2.53
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-cyclopentyl-3-ethyl-4H-imidazol-2-one
CID 79967090
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964
5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one
CID 79960318
5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138390874
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967025
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
CID 79967925
5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967494
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one (CID 79968357) is 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1C1CCCCCC1.
What is the InChIKey of 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is FXGNXJMBKRHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).