3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide

C16H13F2N3O — CID 110869413

IUPAC3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(N(C)C(=O)c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H13F2N3O/c1-9-19-14-6-4-11(8-15(14)20-9)21(2)16(22)10-3-5-12(17)13(18)7-10/h3-8H,1-2H3,(H,19,20)
InChIKeyMVQQSYKWRHQBGT-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.43
Rot. Bonds2

About 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide

3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide (PubChem CID 110869413) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
PubChem CID110869413
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(N(C)C(=O)c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H13F2N3O/c1-9-19-14-6-4-11(8-15(14)20-9)21(2)16(22)10-3-5-12(17)13(18)7-10/h3-8H,1-2H3,(H,19,20)
InChIKeyMVQQSYKWRHQBGT-UHFFFAOYSA-N
XLogP3.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 171064473
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide (CID 110869413) is 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide is Cc1nc2ccc(N(C)C(=O)c3ccc(F)c(F)c3)cc2[nH]1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is MVQQSYKWRHQBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-9-19-14-6-4-11(8-15(14)20-9)21(2)16(22)10-3-5-12(17)13(18)7-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 301.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 110869413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).