4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide

C24H23FN6O2 — CID 57378670

IUPAC4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cc2)cn1
InChIInChI=1S/C24H23FN6O2/c1-30-23(22(28-29-30)16-2-6-18(25)7-3-16)21-14-31(15-26-21)20-8-4-17(5-9-20)24(32)27-19-10-12-33-13-11-19/h2-9,14-15,19H,10-13H2,1H3,(H,27,32)
InChIKeyMFOYIJQVWRLGFM-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.38
Rot. Bonds5

About 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide

4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide (PubChem CID 57378670) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide
PubChem CID57378670
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cc2)cn1
InChIInChI=1S/C24H23FN6O2/c1-30-23(22(28-29-30)16-2-6-18(25)7-3-16)21-14-31(15-26-21)20-8-4-17(5-9-20)24(32)27-19-10-12-33-13-11-19/h2-9,14-15,19H,10-13H2,1H3,(H,27,32)
InChIKeyMFOYIJQVWRLGFM-UHFFFAOYSA-N
XLogP3.38
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide (CID 57378670) is 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide is Cn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)NC3CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide?
The InChIKey is MFOYIJQVWRLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-30-23(22(28-29-30)16-2-6-18(25)7-3-16)21-14-31(15-26-21)20-8-4-17(5-9-20)24(32)27-19-10-12-33-13-11-19/h2-9,14-15,19H,10-13H2,1H3,(H,27,32).
What are the key properties of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide?
4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide has a molecular weight of 446.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 57378670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).