ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate

C14H15Br2N3O2 — CID 63465967

IUPACethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ccc(Br)cc2Br)c1N
InChIInChI=1S/C14H15Br2N3O2/c1-3-11-18-12(14(20)21-4-2)13(17)19(11)10-6-5-8(15)7-9(10)16/h5-7H,3-4,17H2,1-2H3
InChIKeyYUMWCWZLJBKCLH-UHFFFAOYSA-N
MW417.10 g/mol
LogP3.72
Rot. Bonds4

About ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate

ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate (PubChem CID 63465967) has the molecular formula C14H15Br2N3O2 and a molecular weight of 417.10 g/mol. Its IUPAC name is ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
PubChem CID63465967
Molecular FormulaC14H15Br2N3O2
Molecular Weight417.10 g/mol
Exact Mass414.95
IUPAC Nameethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ccc(Br)cc2Br)c1N
InChIInChI=1S/C14H15Br2N3O2/c1-3-11-18-12(14(20)21-4-2)13(17)19(11)10-6-5-8(15)7-9(10)16/h5-7H,3-4,17H2,1-2H3
InChIKeyYUMWCWZLJBKCLH-UHFFFAOYSA-N
XLogP3.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
ethyl 5-amino-1-(2-bromo-5-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 107630303
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate (CID 63465967) is ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(-c2ccc(Br)cc2Br)c1N.
What is the InChIKey of ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate?
The InChIKey is YUMWCWZLJBKCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O2/c1-3-11-18-12(14(20)21-4-2)13(17)19(11)10-6-5-8(15)7-9(10)16/h5-7H,3-4,17H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate?
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate has a molecular weight of 417.10 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 63465967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).