N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide

C32H23Cl2FN6O — CID 134133547

IUPACN-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(Cn2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H23Cl2FN6O/c33-24-13-16-28(27(34)17-24)36-29(42)20-40-18-26(38-39-40)19-41-31(22-9-5-2-6-10-22)30(21-7-3-1-4-8-21)37-32(41)23-11-14-25(35)15-12-23/h1-18H,19-20H2,(H,36,42)
InChIKeyMKVQLAUNKKMSRD-UHFFFAOYSA-N
MW597.48 g/mol
LogP7.61
Rot. Bonds8

About N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide

N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide (PubChem CID 134133547) has the molecular formula C32H23Cl2FN6O and a molecular weight of 597.48 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide
PubChem CID134133547
Molecular FormulaC32H23Cl2FN6O
Molecular Weight597.48 g/mol
Exact Mass596.13
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(Cn2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H23Cl2FN6O/c33-24-13-16-28(27(34)17-24)36-29(42)20-40-18-26(38-39-40)19-41-31(22-9-5-2-6-10-22)30(21-7-3-1-4-8-21)37-32(41)23-11-14-25(35)15-12-23/h1-18H,19-20H2,(H,36,42)
InChIKeyMKVQLAUNKKMSRD-UHFFFAOYSA-N
XLogP7.61
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.48
LogP ≤ 57.61
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-[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
1-[(1S)-1-[5-(5-chloro-3-pyridinyl)-1H-imidazol-2-yl]-2-(4-fluorophenyl)ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]pyridin-2-one
CID 118871428
1-(2-((4-chlorophenyl)amino)-2-oxoethyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 44662344
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-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide (CID 134133547) is N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide is O=C(Cn1cc(Cn2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide?
The InChIKey is MKVQLAUNKKMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl2FN6O/c33-24-13-16-28(27(34)17-24)36-29(42)20-40-18-26(38-39-40)19-41-31(22-9-5-2-6-10-22)30(21-7-3-1-4-8-21)37-32(41)23-11-14-25(35)15-12-23/h1-18H,19-20H2,(H,36,42).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide has a molecular weight of 597.48 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134133547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).