2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide

C24H18F3N7O — CID 175635820

IUPAC2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1cccc(C(F)(F)F)n1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C24H18F3N7O/c25-24(26,27)22-7-3-4-17(30-22)13-33(18-10-8-16(9-11-18)20-12-28-15-29-20)23(35)14-34-21-6-2-1-5-19(21)31-32-34/h1-12,15H,13-14H2,(H,28,29)
InChIKeyMVQLAZHIMSGROF-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.47
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide

2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (PubChem CID 175635820) has the molecular formula C24H18F3N7O and a molecular weight of 477.45 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
PubChem CID175635820
Molecular FormulaC24H18F3N7O
Molecular Weight477.45 g/mol
Exact Mass477.15
IUPAC Name2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1cccc(C(F)(F)F)n1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C24H18F3N7O/c25-24(26,27)22-7-3-4-17(30-22)13-33(18-10-8-16(9-11-18)20-12-28-15-29-20)23(35)14-34-21-6-2-1-5-19(21)31-32-34/h1-12,15H,13-14H2,(H,28,29)
InChIKeyMVQLAZHIMSGROF-UHFFFAOYSA-N
XLogP4.47
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770171
2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770306
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 175635827
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
CID 171770253
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
CID 171770212
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 171770305
2-(benzotriazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987187
2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987159
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
CID 171770241
2-(benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 56932136
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxopyrrolidin-3-yl)phenyl]acetamide
CID 171770290

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (CID 175635820) is 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is O=C(Cn1nnc2ccccc21)N(Cc1cccc(C(F)(F)F)n1)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is MVQLAZHIMSGROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O/c25-24(26,27)22-7-3-4-17(30-22)13-33(18-10-8-16(9-11-18)20-12-28-15-29-20)23(35)14-34-21-6-2-1-5-19(21)31-32-34/h1-12,15H,13-14H2,(H,28,29).
What are the key properties of 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 477.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 175635820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).