N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C19H18N6OS — CID 31008571

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCCc1cn2ccccc2n1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H18N6OS/c26-18(20-9-8-16-11-25-10-2-1-3-17(25)23-16)15-6-4-14(5-7-15)12-27-19-21-13-22-24-19/h1-7,10-11,13H,8-9,12H2,(H,20,26)(H,21,22,24)
InChIKeyWBUCUSOEEBNKLU-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.72
Rot. Bonds7

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 31008571) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID31008571
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCCc1cn2ccccc2n1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H18N6OS/c26-18(20-9-8-16-11-25-10-2-1-3-17(25)23-16)15-6-4-14(5-7-15)12-27-19-21-13-22-24-19/h1-7,10-11,13H,8-9,12H2,(H,20,26)(H,21,22,24)
InChIKeyWBUCUSOEEBNKLU-UHFFFAOYSA-N
XLogP2.72
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
N-(2-hydroxyethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78795124
4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 33048406
N-(3-aminopropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide;dihydrochloride
CID 119405139
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56562225
N-pyrrolidin-3-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 119449836
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
4-ethoxy-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429958
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 31008571) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(NCCc1cn2ccccc2n1)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is WBUCUSOEEBNKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c26-18(20-9-8-16-11-25-10-2-1-3-17(25)23-16)15-6-4-14(5-7-15)12-27-19-21-13-22-24-19/h1-7,10-11,13H,8-9,12H2,(H,20,26)(H,21,22,24).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 378.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 31008571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).