1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide

C21H20Cl3N3O2 — CID 11224779

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide
SMILESCc1c(C(=O)NOC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl3N3O2/c1-12-18(20(28)26-29-21(2,3)4)25-19(16-10-7-14(23)11-17(16)24)27(12)15-8-5-13(22)6-9-15/h5-11H,1-4H3,(H,26,28)
InChIKeyPNYCYGVLNOKFSQ-UHFFFAOYSA-N
MW452.77 g/mol
LogP6.27
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide (PubChem CID 11224779) has the molecular formula C21H20Cl3N3O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide
PubChem CID11224779
Molecular FormulaC21H20Cl3N3O2
Molecular Weight452.77 g/mol
Exact Mass451.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide
SMILESCc1c(C(=O)NOC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl3N3O2/c1-12-18(20(28)26-29-21(2,3)4)25-19(16-10-7-14(23)11-17(16)24)27(12)15-8-5-13(22)6-9-15/h5-11H,1-4H3,(H,26,28)
InChIKeyPNYCYGVLNOKFSQ-UHFFFAOYSA-N
XLogP6.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide (CID 11224779) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide is Cc1c(C(=O)NOC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide?
The InChIKey is PNYCYGVLNOKFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3O2/c1-12-18(20(28)26-29-21(2,3)4)25-19(16-10-7-14(23)11-17(16)24)27(12)15-8-5-13(22)6-9-15/h5-11H,1-4H3,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide has a molecular weight of 452.77 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-[(2-methylpropan-2-yl)oxy]imidazole-4-carboxamide is sourced from PubChem (CID 11224779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).