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

C12H12ClN5O2 — CID 82563746

IUPACethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(Cl)ccc3n2[nH]1
InChIInChI=1S/C12H12ClN5O2/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)
InChIKeyQNENSMKXTAGRHZ-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (PubChem CID 82563746) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
PubChem CID82563746
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Nameethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(Cl)ccc3n2[nH]1
InChIInChI=1S/C12H12ClN5O2/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)
InChIKeyQNENSMKXTAGRHZ-UHFFFAOYSA-N
XLogP1.84
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(6-chloro-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-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564241
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033
6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
6-chloro-N-(4-nitrophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563704
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (CID 82563746) is ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2nc3cc(Cl)ccc3n2[nH]1.
What is the InChIKey of ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The InChIKey is QNENSMKXTAGRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2/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-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate has a molecular weight of 293.71 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82563746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).