2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C24H19F2N3O2 — CID 46089444

IUPAC2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccc(CNC(=O)c4c(F)cccc4F)cc3)[nH]2)c1
InChIInChI=1S/C24H19F2N3O2/c1-31-18-5-2-4-17(12-18)21-14-27-23(29-21)16-10-8-15(9-11-16)13-28-24(30)22-19(25)6-3-7-20(22)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNKTHTLIHVVCNGU-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.96
Rot. Bonds6

About 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 46089444) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID46089444
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccc(CNC(=O)c4c(F)cccc4F)cc3)[nH]2)c1
InChIInChI=1S/C24H19F2N3O2/c1-31-18-5-2-4-17(12-18)21-14-27-23(29-21)16-10-8-15(9-11-16)13-28-24(30)22-19(25)6-3-7-20(22)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNKTHTLIHVVCNGU-UHFFFAOYSA-N
XLogP4.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 46089444) is 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1cccc(-c2cnc(-c3ccc(CNC(=O)c4c(F)cccc4F)cc3)[nH]2)c1.
What is the InChIKey of 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is NKTHTLIHVVCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-31-18-5-2-4-17(12-18)21-14-27-23(29-21)16-10-8-15(9-11-16)13-28-24(30)22-19(25)6-3-7-20(22)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 46089444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).