2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide

C17H21F2N3O2 — CID 71860303

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nccn2C(F)F)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C17H21F2N3O2/c1-11(2)9-21-16(23)13-8-12(3)4-5-14(13)24-10-15-20-6-7-22(15)17(18)19/h4-8,11,17H,9-10H2,1-3H3,(H,21,23)
InChIKeySSTKLJQWHHYRHH-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.55
Rot. Bonds7

About 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide

2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide (PubChem CID 71860303) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide
PubChem CID71860303
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nccn2C(F)F)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C17H21F2N3O2/c1-11(2)9-21-16(23)13-8-12(3)4-5-14(13)24-10-15-20-6-7-22(15)17(18)19/h4-8,11,17H,9-10H2,1-3H3,(H,21,23)
InChIKeySSTKLJQWHHYRHH-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide (CID 71860303) is 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(OCc2nccn2C(F)F)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is SSTKLJQWHHYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-11(2)9-21-16(23)13-8-12(3)4-5-14(13)24-10-15-20-6-7-22(15)17(18)19/h4-8,11,17H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 337.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 71860303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).