ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate

C19H17Cl2N3O4S — CID 11496184

IUPACethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccc(Cl)cc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O4S/c1-2-28-19(25)17-18(23-29(26,27)16-9-7-15(21)8-10-16)24(12-22-17)11-13-3-5-14(20)6-4-13/h3-10,12,23H,2,11H2,1H3
InChIKeyNIPBRXMYGASKGU-UHFFFAOYSA-N
MW454.34 g/mol
LogP4.22
Rot. Bonds7

About ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate

ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate (PubChem CID 11496184) has the molecular formula C19H17Cl2N3O4S and a molecular weight of 454.34 g/mol. Its IUPAC name is ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate
PubChem CID11496184
Molecular FormulaC19H17Cl2N3O4S
Molecular Weight454.34 g/mol
Exact Mass453.03
IUPAC Nameethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccc(Cl)cc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O4S/c1-2-28-19(25)17-18(23-29(26,27)16-9-7-15(21)8-10-16)24(12-22-17)11-13-3-5-14(20)6-4-13/h3-10,12,23H,2,11H2,1H3
InChIKeyNIPBRXMYGASKGU-UHFFFAOYSA-N
XLogP4.22
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
ethyl 5-amino-1-[(3-chlorophenyl)methyl]imidazole-4-carboxylate
CID 55086211
ethyl 5-amino-1-[(4-cyanophenyl)methyl]imidazole-4-carboxylate
CID 62268800
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201953
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate
CID 42555751
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
ethyl 5-amino-1-benzylimidazole-4-carboxylate;ethyl 1-benzyl-5-[bis(2,4-dichlorobenzoyl)amino]imidazole-4-carboxylate
CID 157086637
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
CID 177311356

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate (CID 11496184) is ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate is CCOC(=O)c1ncn(Cc2ccc(Cl)cc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate?
The InChIKey is NIPBRXMYGASKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4S/c1-2-28-19(25)17-18(23-29(26,27)16-9-7-15(21)8-10-16)24(12-22-17)11-13-3-5-14(20)6-4-13/h3-10,12,23H,2,11H2,1H3.
What are the key properties of ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate?
ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate has a molecular weight of 454.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate is sourced from PubChem (CID 11496184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).