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

C22H20Cl2N6O — CID 134141648

IUPACN-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
SMILESCc1nccn1-c1ccc(-c2cn(C(C)(C)C(=O)Nc3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31)
InChIKeyWXJZLQMCWDHDLZ-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.12
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide (PubChem CID 134141648) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
PubChem CID134141648
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC NameN-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
SMILESCc1nccn1-c1ccc(-c2cn(C(C)(C)C(=O)Nc3cccc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31)
InChIKeyWXJZLQMCWDHDLZ-UHFFFAOYSA-N
XLogP5.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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-[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-[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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide (CID 134141648) is N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide is Cc1nccn1-c1ccc(-c2cn(C(C)(C)C(=O)Nc3cccc(Cl)c3Cl)nn2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide?
The InChIKey is WXJZLQMCWDHDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31).
What are the key properties of N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide?
N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.12, 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-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide is sourced from PubChem (CID 134141648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).