N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide

C19H14Cl2N6O — CID 134152061

IUPACN-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
InChIKeyMYHOVNKXYPEQIW-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.08
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide (PubChem CID 134152061) has the molecular formula C19H14Cl2N6O and a molecular weight of 413.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
PubChem CID134152061
Molecular FormulaC19H14Cl2N6O
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
InChIKeyMYHOVNKXYPEQIW-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.08
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-[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
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-imidazol-1-ylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide (CID 134152061) is N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide?
The InChIKey is MYHOVNKXYPEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide has a molecular weight of 413.27 g/mol, XLogP of 4.08, 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-imidazol-1-ylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 134152061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).