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

C20H16Cl2N6O — CID 134149858

IUPACN-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
SMILESCc1cn(-c2ccc(-c3cn(CC(=O)Nc4cccc(Cl)c4Cl)nn3)cc2)cn1
InChIInChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
InChIKeyULUGOYAEEFLQDR-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.38
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide (PubChem CID 134149858) has the molecular formula C20H16Cl2N6O and a molecular weight of 427.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
PubChem CID134149858
Molecular FormulaC20H16Cl2N6O
Molecular Weight427.30 g/mol
Exact Mass426.08
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
SMILESCc1cn(-c2ccc(-c3cn(CC(=O)Nc4cccc(Cl)c4Cl)nn3)cc2)cn1
InChIInChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
InChIKeyULUGOYAEEFLQDR-UHFFFAOYSA-N
XLogP4.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CID 156027237
N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
CID 146294019
N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide
CID 146294022
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-[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-[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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide (CID 134149858) is N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide is Cc1cn(-c2ccc(-c3cn(CC(=O)Nc4cccc(Cl)c4Cl)nn3)cc2)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
The InChIKey is ULUGOYAEEFLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide has a molecular weight of 427.30 g/mol, XLogP of 4.38, 5 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-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134149858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).