1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea

C26H34N4O3 — CID 4623506

IUPAC1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(O)C1N(c2ccccc2C)C(=O)N(C2CCCCC2)C1(C)C
InChIInChI=1S/C26H34N4O3/c1-18-12-8-10-16-21(18)27-24(31)30(33)23-26(3,4)29(20-14-6-5-7-15-20)25(32)28(23)22-17-11-9-13-19(22)2/h8-13,16-17,20,23,33H,5-7,14-15H2,1-4H3,(H,27,31)
InChIKeyQWWJJMCXFNDTHS-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.91
Rot. Bonds4

About 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea

1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea (PubChem CID 4623506) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea
PubChem CID4623506
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(O)C1N(c2ccccc2C)C(=O)N(C2CCCCC2)C1(C)C
InChIInChI=1S/C26H34N4O3/c1-18-12-8-10-16-21(18)27-24(31)30(33)23-26(3,4)29(20-14-6-5-7-15-20)25(32)28(23)22-17-11-9-13-19(22)2/h8-13,16-17,20,23,33H,5-7,14-15H2,1-4H3,(H,27,31)
InChIKeyQWWJJMCXFNDTHS-UHFFFAOYSA-N
XLogP5.91
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.91
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'}

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Related Compounds

1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea (CID 4623506) is 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(O)C1N(c2ccccc2C)C(=O)N(C2CCCCC2)C1(C)C.
What is the InChIKey of 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea?
The InChIKey is QWWJJMCXFNDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18-12-8-10-16-21(18)27-24(31)30(33)23-26(3,4)29(20-14-6-5-7-15-20)25(32)28(23)22-17-11-9-13-19(22)2/h8-13,16-17,20,23,33H,5-7,14-15H2,1-4H3,(H,27,31).
What are the key properties of 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea?
1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea has a molecular weight of 450.58 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-5,5-dimethyl-3-(2-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(2-methylphenyl)urea is sourced from PubChem (CID 4623506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).