2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one

C16H27N3O — CID 46225190

IUPAC2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N
InChIInChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)
InChIKeyIAMIFCZOYVOTFD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one

2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one (PubChem CID 46225190) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one
PubChem CID46225190
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N
InChIInChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)
InChIKeyIAMIFCZOYVOTFD-UHFFFAOYSA-N
XLogP2.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
CID 11232421
(2e,5r)-5-(2-Cyclohexylethyl)-5-{[(1s,3r)-3-(Cyclopentylamino)cyclohexyl]methyl}-2-Imino-3-Methylimidazolidin-4-One
CID 57844200
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 57843652
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 57844562
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719667
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719670
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118720051
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
CID 57843987
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)imidazol-4-one
CID 57844676
2-Amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
CID 76581024
(5R)-2-amino-5-[[(3R)-3-(butylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 11223035
(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
CID 11362020

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one (CID 46225190) is 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one is CN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N.
What is the InChIKey of 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one?
The InChIKey is IAMIFCZOYVOTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18).
What are the key properties of 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one?
2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one has a molecular weight of 277.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dicyclohexyl-3-methylimidazol-4-one is sourced from PubChem (CID 46225190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).