N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H16F3N3O — CID 11393876

IUPACN-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cccc(C(F)(F)F)c32)cc1C
InChIInChI=1S/C18H16F3N3O/c1-11-6-7-13(8-12(11)2)23-16(25)9-24-10-22-15-5-3-4-14(17(15)24)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyQYWWOWRWKUGAEZ-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.31
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 11393876) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID11393876
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cccc(C(F)(F)F)c32)cc1C
InChIInChI=1S/C18H16F3N3O/c1-11-6-7-13(8-12(11)2)23-16(25)9-24-10-22-15-5-3-4-14(17(15)24)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyQYWWOWRWKUGAEZ-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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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11279830
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
CID 11596534
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
3-[2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 69054095
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
CID 11544556

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 11393876) is N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cnc3cccc(C(F)(F)F)c32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QYWWOWRWKUGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-6-7-13(8-12(11)2)23-16(25)9-24-10-22-15-5-3-4-14(17(15)24)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,23,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[7-(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-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 11393876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).