2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

C11H10F3N3O — CID 115190207

IUPAC2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(N(C)C(=O)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H10F3N3O/c1-6-15-8-4-3-7(5-9(8)16-6)17(2)10(18)11(12,13)14/h3-5H,1-2H3,(H,15,16)
InChIKeyOGIKPNLQPKYMDT-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.40
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 115190207) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID115190207
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(N(C)C(=O)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H10F3N3O/c1-6-15-8-4-3-7(5-9(8)16-6)17(2)10(18)11(12,13)14/h3-5H,1-2H3,(H,15,16)
InChIKeyOGIKPNLQPKYMDT-UHFFFAOYSA-N
XLogP2.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
3-methyl-3-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]butanoic acid
CID 117042372
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220
N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 155949090
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 115190207) is 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(N(C)C(=O)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is OGIKPNLQPKYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-15-8-4-3-7(5-9(8)16-6)17(2)10(18)11(12,13)14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 257.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 115190207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).