5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C24H19ClFN3O2 — CID 46089764

IUPAC5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)cc1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-9-6-16(7-10-19)22-14-27-23(29-22)17-4-2-15(3-5-17)13-28-24(30)20-12-18(25)8-11-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyOGQPJSDRVUWREN-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.47
Rot. Bonds6

About 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 46089764) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID46089764
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)cc1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-9-6-16(7-10-19)22-14-27-23(29-22)17-4-2-15(3-5-17)13-28-24(30)20-12-18(25)8-11-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyOGQPJSDRVUWREN-UHFFFAOYSA-N
XLogP5.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 46089764) is 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is OGQPJSDRVUWREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-31-19-9-6-16(7-10-19)22-14-27-23(29-22)17-4-2-15(3-5-17)13-28-24(30)20-12-18(25)8-11-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 46089764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).