ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate

C12H12BrN5O2 — CID 82564241

IUPACethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(Br)ccc3n2[nH]1
InChIInChI=1S/C12H12BrN5O2/c1-2-20-10(19)6-14-11-16-12-15-8-5-7(13)3-4-9(8)18(12)17-11/h3-5H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyHBPXKNQUICLJLP-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.95
Rot. Bonds4

About ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate

ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (PubChem CID 82564241) has the molecular formula C12H12BrN5O2 and a molecular weight of 338.17 g/mol. Its IUPAC name is ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
PubChem CID82564241
Molecular FormulaC12H12BrN5O2
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Nameethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(Br)ccc3n2[nH]1
InChIInChI=1S/C12H12BrN5O2/c1-2-20-10(19)6-14-11-16-12-15-8-5-7(13)3-4-9(8)18(12)17-11/h3-5H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyHBPXKNQUICLJLP-UHFFFAOYSA-N
XLogP1.95
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563746
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033
ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564203
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (CID 82564241) is ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2nc3cc(Br)ccc3n2[nH]1.
What is the InChIKey of ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The InChIKey is HBPXKNQUICLJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O2/c1-2-20-10(19)6-14-11-16-12-15-8-5-7(13)3-4-9(8)18(12)17-11/h3-5H,2,6H2,1H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate has a molecular weight of 338.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82564241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).