3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea

C24H42N4O3 — CID 40634865

IUPAC3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H42N4O3/c1-24(2)21(28(31)22(29)25-18-12-6-3-7-13-18)26(19-14-8-4-9-15-19)23(30)27(24)20-16-10-5-11-17-20/h18-21,31H,3-17H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyQXOZXBNHYGEBIF-NRFANRHFSA-N
MW434.63 g/mol
LogP5.23
Rot. Bonds4

About 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea

3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (PubChem CID 40634865) has the molecular formula C24H42N4O3 and a molecular weight of 434.63 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
PubChem CID40634865
Molecular FormulaC24H42N4O3
Molecular Weight434.63 g/mol
Exact Mass434.33
IUPAC Name3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H42N4O3/c1-24(2)21(28(31)22(29)25-18-12-6-3-7-13-18)26(19-14-8-4-9-15-19)23(30)27(24)20-16-10-5-11-17-20/h18-21,31H,3-17H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyQXOZXBNHYGEBIF-NRFANRHFSA-N
XLogP5.23
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea
CID 3287982
3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 40634215
1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea
CID 4623506
1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 3468223
3-cyclohexyl-1-hydroxy-1-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)urea
CID 666634
3-cyclohexyl-1-hydroxy-1-[(4S)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea
CID 136773680
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
S-methyl N-cyclohexylcarbamothioate
CID 3710575
2-cyclohexyl-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885760
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The IUPAC name of 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (CID 40634865) is 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.
What is the SMILES notation for 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The canonical SMILES for 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The InChIKey is QXOZXBNHYGEBIF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H42N4O3/c1-24(2)21(28(31)22(29)25-18-12-6-3-7-13-18)26(19-14-8-4-9-15-19)23(30)27(24)20-16-10-5-11-17-20/h18-21,31H,3-17H2,1-2H3,(H,25,29)/t21-/m0/s1.
What are the key properties of 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 434.63 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 40634865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).