3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid

C22H20FN5O4 — CID 171707356

IUPAC3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid
SMILESCc1nc(-c2cc(F)cc(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)c2)c(C)[nH]1.O=CO
InChIInChI=1S/C21H18FN5O2.CH2O2/c1-11-19(24-12(2)23-11)15-8-16(10-17(22)9-15)20(28)25-18-6-4-14(5-7-18)21-27-26-13(3)29-21;2-1-3/h4-10H,1-3H3,(H,23,24)(H,25,28);1H,(H,2,3)
InChIKeyUDBLYDJSGRDYRL-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.14
Rot. Bonds4

About 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid

3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid (PubChem CID 171707356) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid.

Molecular Properties

Compound Name3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid
PubChem CID171707356
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid
SMILESCc1nc(-c2cc(F)cc(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)c2)c(C)[nH]1.O=CO
InChIInChI=1S/C21H18FN5O2.CH2O2/c1-11-19(24-12(2)23-11)15-8-16(10-17(22)9-15)20(28)25-18-6-4-14(5-7-18)21-27-26-13(3)29-21;2-1-3/h4-10H,1-3H3,(H,23,24)(H,25,28);1H,(H,2,3)
InChIKeyUDBLYDJSGRDYRL-UHFFFAOYSA-N
XLogP4.14
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid?
The IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid (CID 171707356) is 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid.
What is the SMILES notation for 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid?
The canonical SMILES for 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid is Cc1nc(-c2cc(F)cc(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)c2)c(C)[nH]1.O=CO.
What is the InChIKey of 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid?
The InChIKey is UDBLYDJSGRDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2.CH2O2/c1-11-19(24-12(2)23-11)15-8-16(10-17(22)9-15)20(28)25-18-6-4-14(5-7-18)21-27-26-13(3)29-21;2-1-3/h4-10H,1-3H3,(H,23,24)(H,25,28);1H,(H,2,3).
What are the key properties of 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid?
3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid has a molecular weight of 437.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid is sourced from PubChem (CID 171707356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).