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

C13H23N3O — CID 79959677

IUPAC5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1C1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-3-7-16-11(12(14)15-13(16)17)10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyKHMXKQBNAZNIRY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.38
Rot. Bonds3

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

5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79959677) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one
PubChem CID79959677
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1C1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-3-7-16-11(12(14)15-13(16)17)10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyKHMXKQBNAZNIRY-UHFFFAOYSA-N
XLogP2.38
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1-(2-methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959231
4-Amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4-Amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967728
4-Amino-1-propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968346
3-(2-Amino-1-cyclohexyl-2-iminoethyl)-1,1-diethylurea
CID 79161304
4-Amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959228
4-Amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959229
4-Amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959230
5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959238
5-amino-4-cyclohexyl-3-methyl-4H-imidazol-2-one
CID 79959248
4-Amino-1,6,7-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959261
4-Amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959447

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one (CID 79959677) is 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1C1CCCC(C)C1.
What is the InChIKey of 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is KHMXKQBNAZNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-16-11(12(14)15-13(16)17)10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylcyclohexyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79959677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).