ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate

C19H16Cl2N4O2 — CID 91173919

IUPACethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate
SMILES[H]/N=N/Cc1c(C(=O)OCC)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-27-19(26)17-16(11-23-22)25(13-9-7-12(20)8-10-13)18(24-17)14-5-3-4-6-15(14)21/h3-10,22H,2,11H2,1H3/b23-22+
InChIKeyMCIHOUHHDDXRHI-GHVJWSGMSA-N
MW403.27 g/mol
LogP5.55
Rot. Bonds6

About ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate

ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate (PubChem CID 91173919) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate
PubChem CID91173919
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Nameethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate
SMILES[H]/N=N/Cc1c(C(=O)OCC)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-27-19(26)17-16(11-23-22)25(13-9-7-12(20)8-10-13)18(24-17)14-5-3-4-6-15(14)21/h3-10,22H,2,11H2,1H3/b23-22+
InChIKeyMCIHOUHHDDXRHI-GHVJWSGMSA-N
XLogP5.55
TPSA80.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 161181256
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
CID 142992071
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
CID 176912169
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate (CID 91173919) is ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate is [H]/N=N/Cc1c(C(=O)OCC)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate?
The InChIKey is MCIHOUHHDDXRHI-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-2-27-19(26)17-16(11-23-22)25(13-9-7-12(20)8-10-13)18(24-17)14-5-3-4-6-15(14)21/h3-10,22H,2,11H2,1H3/b23-22+.
What are the key properties of ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate?
ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate has a molecular weight of 403.27 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 91173919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).