2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide

C12H11F2N3O — CID 82815562

IUPAC2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C12H11F2N3O/c1-7-2-3-9(13)10(11(7)14)12(18)16-5-8-4-15-6-17-8/h2-4,6H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyYUDCUIXMAICMJU-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.93
Rot. Bonds3

About 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide

2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide (PubChem CID 82815562) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
PubChem CID82815562
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C12H11F2N3O/c1-7-2-3-9(13)10(11(7)14)12(18)16-5-8-4-15-6-17-8/h2-4,6H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyYUDCUIXMAICMJU-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide (CID 82815562) is 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2cnc[nH]2)c1F.
What is the InChIKey of 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide?
The InChIKey is YUDCUIXMAICMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-2-3-9(13)10(11(7)14)12(18)16-5-8-4-15-6-17-8/h2-4,6H,5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide?
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide has a molecular weight of 251.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide is sourced from PubChem (CID 82815562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).