4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide

C28H23N7O — CID 44625185

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C28H23N7O/c36-27(29-18-17-25-31-22-9-4-5-10-23(22)32-25)20-15-13-19(14-16-20)24-11-6-12-26-33-28(34-35(24)26)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H,29,36)(H,30,34)(H,31,32)
InChIKeyNYBKTDNMEBRHRT-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.99
Rot. Bonds7

About 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 44625185) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID44625185
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C28H23N7O/c36-27(29-18-17-25-31-22-9-4-5-10-23(22)32-25)20-15-13-19(14-16-20)24-11-6-12-26-33-28(34-35(24)26)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H,29,36)(H,30,34)(H,31,32)
InChIKeyNYBKTDNMEBRHRT-UHFFFAOYSA-N
XLogP4.99
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 44626155
5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276419
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 30209277
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide (CID 44625185) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is NYBKTDNMEBRHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c36-27(29-18-17-25-31-22-9-4-5-10-23(22)32-25)20-15-13-19(14-16-20)24-11-6-12-26-33-28(34-35(24)26)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H,29,36)(H,30,34)(H,31,32).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 473.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 44625185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).