1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea

C23H23Cl2IN4O — CID 11541445

IUPAC1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea
SMILESCc1c(NC(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(I)cc1
InChIInChI=1S/C23H23Cl2IN4O/c1-14-21(29-23(31)27-17-5-3-2-4-6-17)28-22(19-12-7-15(24)13-20(19)25)30(14)18-10-8-16(26)9-11-18/h7-13,17H,2-6H2,1H3,(H2,27,29,31)
InChIKeyKINYNFFISOBDBZ-UHFFFAOYSA-N
MW569.27 g/mol
LogP7.21
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea

1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea (PubChem CID 11541445) has the molecular formula C23H23Cl2IN4O and a molecular weight of 569.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea
PubChem CID11541445
Molecular FormulaC23H23Cl2IN4O
Molecular Weight569.27 g/mol
Exact Mass568.03
IUPAC Name1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea
SMILESCc1c(NC(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(I)cc1
InChIInChI=1S/C23H23Cl2IN4O/c1-14-21(29-23(31)27-17-5-3-2-4-6-17)28-22(19-12-7-15(24)13-20(19)25)30(14)18-10-8-16(26)9-11-18/h7-13,17H,2-6H2,1H3,(H2,27,29,31)
InChIKeyKINYNFFISOBDBZ-UHFFFAOYSA-N
XLogP7.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.27
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cycloheptylamide
CID 11306088
1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-propylimidazol-2-one
CID 137368591
5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-imidazole-2-carboxamide
CID 9847217
N-(Cycloheptyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10116471
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclopentylamide
CID 10127496
N-(Phenyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10182828
N-(Cyclohexyl)-4,5-di-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10202808
N-(Cyclohexyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10204999
N-Methyl-N-cyclohexyl-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10227475
N-(Cyclopentyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10275599
N-(Cyclohexyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-ethylimidazole-2-carboxamide
CID 10277271

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea (CID 11541445) is 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea is Cc1c(NC(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(I)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea?
The InChIKey is KINYNFFISOBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2IN4O/c1-14-21(29-23(31)27-17-5-3-2-4-6-17)28-22(19-12-7-15(24)13-20(19)25)30(14)18-10-8-16(26)9-11-18/h7-13,17H,2-6H2,1H3,(H2,27,29,31).
What are the key properties of 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea?
1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea has a molecular weight of 569.27 g/mol, XLogP of 7.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea is sourced from PubChem (CID 11541445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).