2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C13H13ClF3N3O2 — CID 155142993

IUPAC2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2nc(Cl)n(CC(=O)N(C)CC(F)(F)F)c2c1
InChIInChI=1S/C13H13ClF3N3O2/c1-19(7-13(15,16)17)11(21)6-20-10-5-8(22-2)3-4-9(10)18-12(20)14/h3-5H,6-7H2,1-2H3
InChIKeyZWBFKNPZLCUJLP-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 155142993) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID155142993
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC Name2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2nc(Cl)n(CC(=O)N(C)CC(F)(F)F)c2c1
InChIInChI=1S/C13H13ClF3N3O2/c1-19(7-13(15,16)17)11(21)6-20-10-5-8(22-2)3-4-9(10)18-12(20)14/h3-5H,6-7H2,1-2H3
InChIKeyZWBFKNPZLCUJLP-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60505377
2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone
CID 19846084
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27786943
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 155142993) is 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc2nc(Cl)n(CC(=O)N(C)CC(F)(F)F)c2c1.
What is the InChIKey of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZWBFKNPZLCUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c1-19(7-13(15,16)17)11(21)6-20-10-5-8(22-2)3-4-9(10)18-12(20)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 155142993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).