N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H13F3N6O — CID 37122278

IUPACN-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)17-25-14-3-1-2-4-15(14)26(17)9-16(28)24-12-5-7-13(8-6-12)27-11-22-10-23-27/h1-8,10-11H,9H2,(H,24,28)
InChIKeyLZYHQESMTVXJER-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 37122278) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID37122278
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC NameN-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)17-25-14-3-1-2-4-15(14)26(17)9-16(28)24-12-5-7-13(8-6-12)27-11-22-10-23-27/h1-8,10-11H,9H2,(H,24,28)
InChIKeyLZYHQESMTVXJER-UHFFFAOYSA-N
XLogP3.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26196060
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51122950
2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135121646
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 37122278) is N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is LZYHQESMTVXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c19-18(20,21)17-25-14-3-1-2-4-15(14)26(17)9-16(28)24-12-5-7-13(8-6-12)27-11-22-10-23-27/h1-8,10-11H,9H2,(H,24,28).
What are the key properties of N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 386.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 37122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).