N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide

C14H15F2N3O2 — CID 59581675

IUPACN-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide
SMILESCCc1cc(C(=O)Nc2ncc(C(F)F)n2C)ccc1O
InChIInChI=1S/C14H15F2N3O2/c1-3-8-6-9(4-5-11(8)20)13(21)18-14-17-7-10(12(15)16)19(14)2/h4-7,12,20H,3H2,1-2H3,(H,17,18,21)
InChIKeyUNESUNLNFRVFTE-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.88
Rot. Bonds4

About N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide

N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide (PubChem CID 59581675) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide
PubChem CID59581675
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide
SMILESCCc1cc(C(=O)Nc2ncc(C(F)F)n2C)ccc1O
InChIInChI=1S/C14H15F2N3O2/c1-3-8-6-9(4-5-11(8)20)13(21)18-14-17-7-10(12(15)16)19(14)2/h4-7,12,20H,3H2,1-2H3,(H,17,18,21)
InChIKeyUNESUNLNFRVFTE-UHFFFAOYSA-N
XLogP2.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide (CID 59581675) is N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide is CCc1cc(C(=O)Nc2ncc(C(F)F)n2C)ccc1O.
What is the InChIKey of N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide?
The InChIKey is UNESUNLNFRVFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-3-8-6-9(4-5-11(8)20)13(21)18-14-17-7-10(12(15)16)19(14)2/h4-7,12,20H,3H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide?
N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide has a molecular weight of 295.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methylimidazol-2-yl]-3-ethyl-4-hydroxybenzamide is sourced from PubChem (CID 59581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).