N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

C18H16N6O — CID 75438077

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1cccc2nc(CNC(=O)c3cccc(-c4ncn[nH]4)c3)cn12
InChIInChI=1S/C18H16N6O/c1-12-4-2-7-16-22-15(10-24(12)16)9-19-18(25)14-6-3-5-13(8-14)17-20-11-21-23-17/h2-8,10-11H,9H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyMMIQEYMUGROGOK-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.36
Rot. Bonds4

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 75438077) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID75438077
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1cccc2nc(CNC(=O)c3cccc(-c4ncn[nH]4)c3)cn12
InChIInChI=1S/C18H16N6O/c1-12-4-2-7-16-22-15(10-24(12)16)9-19-18(25)14-6-3-5-13(8-14)17-20-11-21-23-17/h2-8,10-11H,9H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyMMIQEYMUGROGOK-UHFFFAOYSA-N
XLogP2.36
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119074936
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166326947
5,7-dimethyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56785481
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455428
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166192461
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109432154
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 56785456
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]benzamide
CID 146132046

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 75438077) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is Cc1cccc2nc(CNC(=O)c3cccc(-c4ncn[nH]4)c3)cn12.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is MMIQEYMUGROGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-4-2-7-16-22-15(10-24(12)16)9-19-18(25)14-6-3-5-13(8-14)17-20-11-21-23-17/h2-8,10-11H,9H2,1H3,(H,19,25)(H,20,21,23).
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 75438077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).