ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate

C15H19N5O2 — CID 54371367

IUPACethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=NN(C)C)nc(-c2ccccc2)n1C
InChIInChI=1S/C15H19N5O2/c1-5-22-15(21)12-13(17-18-19(2)3)16-14(20(12)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyUTLCZUMLIOHCSW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate

ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate (PubChem CID 54371367) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate
PubChem CID54371367
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Nameethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=NN(C)C)nc(-c2ccccc2)n1C
InChIInChI=1S/C15H19N5O2/c1-5-22-15(21)12-13(17-18-19(2)3)16-14(20(12)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyUTLCZUMLIOHCSW-UHFFFAOYSA-N
XLogP2.82
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
ethyl 3-(dimethylaminodiazenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 10846855
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 3-benzoyl-1-nitroso-4-phenylpyrazole-5-carboxylate
CID 12516796
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
CID 121004582
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate (CID 54371367) is ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate is CCOC(=O)c1c(N=NN(C)C)nc(-c2ccccc2)n1C.
What is the InChIKey of ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate?
The InChIKey is UTLCZUMLIOHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-5-22-15(21)12-13(17-18-19(2)3)16-14(20(12)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate?
ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylaminodiazenyl)-3-methyl-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 54371367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).