(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one

C22H38N4O — CID 11199686

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one
SMILESC=CCN[C@H]1CCCC(C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O/c1-3-14-24-19-11-7-10-18(15-19)16-22(20(27)26(2)21(23)25-22)13-12-17-8-5-4-6-9-17/h3,17-19,24H,1,4-16H2,2H3,(H2,23,25)/t18?,19-,22+/m0/s1
InChIKeyWONQHHYKQGQFKR-FGTDEGFTSA-N
MW374.57 g/mol
LogP3.60
Rot. Bonds8

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one (PubChem CID 11199686) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one
PubChem CID11199686
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one
SMILESC=CCN[C@H]1CCCC(C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O/c1-3-14-24-19-11-7-10-18(15-19)16-22(20(27)26(2)21(23)25-22)13-12-17-8-5-4-6-9-17/h3,17-19,24H,1,4-16H2,2H3,(H2,23,25)/t18?,19-,22+/m0/s1
InChIKeyWONQHHYKQGQFKR-FGTDEGFTSA-N
XLogP3.60
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(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
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-cyclohexylurea
CID 59388200
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719666
[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-3-ium-4-yl]methyl]cyclohexyl]-cyclopentylazanium
CID 117072216
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719665
(5R)-2-amino-5-[[(3R)-3-(butylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 11223035
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-propylurea
CID 11575352
(5R)-2-amino-5-[[(3S)-3-aminocyclohexen-1-yl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 57843650
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[3-(methylamino)cyclohexyl]methyl]imidazol-4-one
CID 57843674
2-[[(1R,3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]amino]acetamide
CID 57843740

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one (CID 11199686) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one is C=CCN[C@H]1CCCC(C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one?
The InChIKey is WONQHHYKQGQFKR-FGTDEGFTSA-N. The full InChI is InChI=1S/C22H38N4O/c1-3-14-24-19-11-7-10-18(15-19)16-22(20(27)26(2)21(23)25-22)13-12-17-8-5-4-6-9-17/h3,17-19,24H,1,4-16H2,2H3,(H2,23,25)/t18?,19-,22+/m0/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 374.57 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(prop-2-enylamino)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 11199686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).