(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one

C26H45N3O — CID 11362020

IUPAC(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
SMILESC[C@@H](C1CCCCC1)N1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C26H45N3O/c1-20(23-15-9-4-10-16-23)29-24(30)26(28-25(29)27,19-22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h20-23H,2-19H2,1H3,(H2,27,28)/t20-,26+/m0/s1
InChIKeyGINZNTAIQAXJEF-RXFWQSSRSA-N
MW415.67 g/mol
LogP6.18
Rot. Bonds7

About (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one

(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one (PubChem CID 11362020) has the molecular formula C26H45N3O and a molecular weight of 415.67 g/mol. Its IUPAC name is (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
PubChem CID11362020
Molecular FormulaC26H45N3O
Molecular Weight415.67 g/mol
Exact Mass415.36
IUPAC Name(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
SMILESC[C@@H](C1CCCCC1)N1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C26H45N3O/c1-20(23-15-9-4-10-16-23)29-24(30)26(28-25(29)27,19-22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h20-23H,2-19H2,1H3,(H2,27,28)/t20-,26+/m0/s1
InChIKeyGINZNTAIQAXJEF-RXFWQSSRSA-N
XLogP6.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one (CID 11362020) is (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one is C[C@@H](C1CCCCC1)N1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N.
What is the InChIKey of (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one?
The InChIKey is GINZNTAIQAXJEF-RXFWQSSRSA-N. The full InChI is InChI=1S/C26H45N3O/c1-20(23-15-9-4-10-16-23)29-24(30)26(28-25(29)27,19-22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h20-23H,2-19H2,1H3,(H2,27,28)/t20-,26+/m0/s1.
What are the key properties of (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one?
(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one has a molecular weight of 415.67 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one is sourced from PubChem (CID 11362020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).