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

C17H16N6O — CID 82563585

IUPACN-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(C)ccc4n3[nH]2)cc1
InChIInChI=1S/C17H16N6O/c1-10-3-8-15-14(9-10)20-17-21-16(22-23(15)17)19-13-6-4-12(5-7-13)18-11(2)24/h3-9H,1-2H3,(H,18,24)(H2,19,20,21,22)
InChIKeyGJAUFIRXTDSRFA-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.22
Rot. Bonds3

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

N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide (PubChem CID 82563585) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
PubChem CID82563585
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(C)ccc4n3[nH]2)cc1
InChIInChI=1S/C17H16N6O/c1-10-3-8-15-14(9-10)20-17-21-16(22-23(15)17)19-13-6-4-12(5-7-13)18-11(2)24/h3-9H,1-2H3,(H,18,24)(H2,19,20,21,22)
InChIKeyGJAUFIRXTDSRFA-UHFFFAOYSA-N
XLogP3.22
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153
ethyl 2-(4-acetamidoanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564040
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
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-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
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
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-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-(4-methylphenyl)acetamide
CID 7684
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide (CID 82563585) is N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc3nc4cc(C)ccc4n3[nH]2)cc1.
What is the InChIKey of N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
The InChIKey is GJAUFIRXTDSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-3-8-15-14(9-10)20-17-21-16(22-23(15)17)19-13-6-4-12(5-7-13)18-11(2)24/h3-9H,1-2H3,(H,18,24)(H2,19,20,21,22).
What are the key properties of N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide?
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82563585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).