N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide

C17H13N7O — CID 82564153

IUPACN-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(C#N)ccc4n3[nH]2)cc1
InChIInChI=1S/C17H13N7O/c1-10(25)19-12-3-5-13(6-4-12)20-16-22-17-21-14-8-11(9-18)2-7-15(14)24(17)23-16/h2-8H,1H3,(H,19,25)(H2,20,21,22,23)
InChIKeyLIOXZMQYRJWKHF-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.78
Rot. Bonds3

About N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide

N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide (PubChem CID 82564153) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
PubChem CID82564153
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(C#N)ccc4n3[nH]2)cc1
InChIInChI=1S/C17H13N7O/c1-10(25)19-12-3-5-13(6-4-12)20-16-22-17-21-14-8-11(9-18)2-7-15(14)24(17)23-16/h2-8H,1H3,(H,19,25)(H2,20,21,22,23)
InChIKeyLIOXZMQYRJWKHF-UHFFFAOYSA-N
XLogP2.78
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
ethyl 2-(4-acetamidoanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564040
N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
CID 82564102
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
3-[(6,7-dimethoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]benzonitrile
CID 82563886
2-(4-nitroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563964
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563979
N-[3-(4,6-dioxa-10,11,13,15-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,12,14-pentaen-12-ylamino)phenyl]acetamide
CID 82563778
3-(4,6-dioxa-10,11,13,15-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,12,14-pentaen-12-ylamino)benzonitrile
CID 82563756
N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide
CID 4915475
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide (CID 82564153) is N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc3nc4cc(C#N)ccc4n3[nH]2)cc1.
What is the InChIKey of N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The InChIKey is LIOXZMQYRJWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-10(25)19-12-3-5-13(6-4-12)20-16-22-17-21-14-8-11(9-18)2-7-15(14)24(17)23-16/h2-8H,1H3,(H,19,25)(H2,20,21,22,23).
What are the key properties of N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82564153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).