N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide

C21H18Cl2N6O — CID 134133761

IUPACN-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
SMILESCc1nccn1Cc1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30)
InChIKeyNKRKNOXSBZYPNY-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.44
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide (PubChem CID 134133761) has the molecular formula C21H18Cl2N6O and a molecular weight of 441.32 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
PubChem CID134133761
Molecular FormulaC21H18Cl2N6O
Molecular Weight441.32 g/mol
Exact Mass440.09
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
SMILESCc1nccn1Cc1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30)
InChIKeyNKRKNOXSBZYPNY-UHFFFAOYSA-N
XLogP4.44
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-[2-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134133574
N-(2,3-dichlorophenyl)-2-[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134135307
N-(2,3-dichlorophenyl)-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134135453
N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
CID 134141648
N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134149858
N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide
CID 134151189
N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
CID 134152061
1-(2-((4-chlorophenyl)amino)-2-oxoethyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 44662344
1-(3-chlorophenyl)-3-(3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl)urea
CID 71797947
1-[3-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 127025032
N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134137001
N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
CID 155255000

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide (CID 134133761) is N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide is Cc1nccn1Cc1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide?
The InChIKey is NKRKNOXSBZYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide has a molecular weight of 441.32 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134133761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).