1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

C18H15F3N2O3 — CID 21179267

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC
InChIInChI=1S/C18H15F3N2O3/c1-25-15-8-7-11(9-16(15)26-2)14(24)10-23-13-6-4-3-5-12(13)22-17(23)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyTXLOHDXWENEJFL-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.96
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone (PubChem CID 21179267) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
PubChem CID21179267
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC
InChIInChI=1S/C18H15F3N2O3/c1-25-15-8-7-11(9-16(15)26-2)14(24)10-23-13-6-4-3-5-12(13)22-17(23)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyTXLOHDXWENEJFL-UHFFFAOYSA-N
XLogP3.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51932175
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55797774
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 3124397
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 27568841
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone
CID 141171746
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone (CID 21179267) is 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone is COc1ccc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone?
The InChIKey is TXLOHDXWENEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-25-15-8-7-11(9-16(15)26-2)14(24)10-23-13-6-4-3-5-12(13)22-17(23)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone has a molecular weight of 364.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 21179267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).