N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H16F3N3O — CID 706185

IUPACN-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C
InChIInChI=1S/C18H16F3N3O/c1-11-6-5-8-13(12(11)2)22-16(25)10-24-15-9-4-3-7-14(15)23-17(24)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyQGMRPTYHBNYZHX-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.31
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 706185) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID706185
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C
InChIInChI=1S/C18H16F3N3O/c1-11-6-5-8-13(12(11)2)22-16(25)10-24-15-9-4-3-7-14(15)23-17(24)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyQGMRPTYHBNYZHX-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 706185) is N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QGMRPTYHBNYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-6-5-8-13(12(11)2)22-16(25)10-24-15-9-4-3-7-14(15)23-17(24)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 706185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).