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

C21H18Cl2N6O — CID 134137001

IUPACN-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
SMILESCc1nccn1-c1ccc(-c2cn(CC(=O)N(C)c3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C21H18Cl2N6O/c1-14-24-10-11-29(14)16-8-6-15(7-9-16)18-12-28(26-25-18)13-20(30)27(2)19-5-3-4-17(22)21(19)23/h3-12H,13H2,1-2H3
InChIKeyRBSGOJXGJTVMRX-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.41
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide (PubChem CID 134137001) has the molecular formula C21H18Cl2N6O and a molecular weight of 441.32 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
PubChem CID134137001
Molecular FormulaC21H18Cl2N6O
Molecular Weight441.32 g/mol
Exact Mass440.09
IUPAC NameN-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
SMILESCc1nccn1-c1ccc(-c2cn(CC(=O)N(C)c3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C21H18Cl2N6O/c1-14-24-10-11-29(14)16-8-6-15(7-9-16)18-12-28(26-25-18)13-20(30)27(2)19-5-3-4-17(22)21(19)23/h3-12H,13H2,1-2H3
InChIKeyRBSGOJXGJTVMRX-UHFFFAOYSA-N
XLogP4.41
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
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-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
CID 134133761
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
N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
CID 155254986
N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
CID 155255000
4-[4-(3-chlorophenyl)-1H-1,2,3-triazol-1-yl]-1-(1H-imidazol-1-ylacetyl)piperidine trifluoroacetate
CID 46989831
N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide
CID 134133547

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide (CID 134137001) is N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide is Cc1nccn1-c1ccc(-c2cn(CC(=O)N(C)c3cccc(Cl)c3Cl)nn2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The InChIKey is RBSGOJXGJTVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O/c1-14-24-10-11-29(14)16-8-6-15(7-9-16)18-12-28(26-25-18)13-20(30)27(2)19-5-3-4-17(22)21(19)23/h3-12H,13H2,1-2H3.
What are the key properties of N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide has a molecular weight of 441.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134137001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).