N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide

C23H26FN3O — CID 134439911

IUPACN-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
SMILESCC(C)n1cncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3O/c1-15(2)27-14-25-13-21(27)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(28)26-23(3,4)5/h6-15H,1-5H3,(H,26,28)
InChIKeyULSKDKLCRDEBNC-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.47
Rot. Bonds4

About N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide

N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide (PubChem CID 134439911) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
PubChem CID134439911
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
SMILESCC(C)n1cncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3O/c1-15(2)27-14-25-13-21(27)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(28)26-23(3,4)5/h6-15H,1-5H3,(H,26,28)
InChIKeyULSKDKLCRDEBNC-UHFFFAOYSA-N
XLogP5.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide (CID 134439911) is N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide is CC(C)n1cncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide?
The InChIKey is ULSKDKLCRDEBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15(2)27-14-25-13-21(27)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(28)26-23(3,4)5/h6-15H,1-5H3,(H,26,28).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide?
N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide has a molecular weight of 379.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide is sourced from PubChem (CID 134439911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).