(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one

C27H41N3O — CID 58425304

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(CCc3ccccc3)C2)N=C1N
InChIInChI=1S/C27H41N3O/c1-30-25(31)27(29-26(30)28,18-17-22-11-6-3-7-12-22)20-24-14-8-13-23(19-24)16-15-21-9-4-2-5-10-21/h2,4-5,9-10,22-24H,3,6-8,11-20H2,1H3,(H2,28,29)/t23?,24-,27-/m1/s1
InChIKeyKLNXXOOQBYTLOW-XBAMXDLOSA-N
MW423.65 g/mol
LogP5.70
Rot. Bonds8

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one (PubChem CID 58425304) has the molecular formula C27H41N3O and a molecular weight of 423.65 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
PubChem CID58425304
Molecular FormulaC27H41N3O
Molecular Weight423.65 g/mol
Exact Mass423.32
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(CCc3ccccc3)C2)N=C1N
InChIInChI=1S/C27H41N3O/c1-30-25(31)27(29-26(30)28,18-17-22-11-6-3-7-12-22)20-24-14-8-13-23(19-24)16-15-21-9-4-2-5-10-21/h2,4-5,9-10,22-24H,3,6-8,11-20H2,1H3,(H2,28,29)/t23?,24-,27-/m1/s1
InChIKeyKLNXXOOQBYTLOW-XBAMXDLOSA-N
XLogP5.70
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
rac-3-[(3-Butylureido)methyl]benzyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin
CID 11375895
5-Adamantan-1-yl-2-amino-3-methyl-5-phenyl-3,5-dihydro-imidazol-4-one
CID 16050640
2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide
CID 59262349

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one (CID 58425304) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(CCc3ccccc3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one?
The InChIKey is KLNXXOOQBYTLOW-XBAMXDLOSA-N. The full InChI is InChI=1S/C27H41N3O/c1-30-25(31)27(29-26(30)28,18-17-22-11-6-3-7-12-22)20-24-14-8-13-23(19-24)16-15-21-9-4-2-5-10-21/h2,4-5,9-10,22-24H,3,6-8,11-20H2,1H3,(H2,28,29)/t23?,24-,27-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 423.65 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 58425304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).