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

C25H39N5O — CID 11177778

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@H](NCc3ccncc3)C2)N=C1N
InChIInChI=1S/C25H39N5O/c1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20/h11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29)/t21?,22-,25+/m0/s1
InChIKeyNJHYJPFGFJYJLA-UALOAUQUSA-N
MW425.62 g/mol
LogP4.01
Rot. Bonds8

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

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (PubChem CID 11177778) has the molecular formula C25H39N5O and a molecular weight of 425.62 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
PubChem CID11177778
Molecular FormulaC25H39N5O
Molecular Weight425.62 g/mol
Exact Mass425.32
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@H](NCc3ccncc3)C2)N=C1N
InChIInChI=1S/C25H39N5O/c1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20/h11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29)/t21?,22-,25+/m0/s1
InChIKeyNJHYJPFGFJYJLA-UALOAUQUSA-N
XLogP4.01
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (CID 11177778) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@H](NCc3ccncc3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The InChIKey is NJHYJPFGFJYJLA-UALOAUQUSA-N. The full InChI is InChI=1S/C25H39N5O/c1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20/h11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29)/t21?,22-,25+/m0/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 425.62 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 11177778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).