2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

C22H14Cl3N3O — CID 58006486

IUPAC2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H14Cl3N3O/c23-17-10-9-14(27-22(29)15-7-4-8-18(24)20(15)25)11-16(17)21-26-12-19(28-21)13-5-2-1-3-6-13/h1-12H,(H,26,28)(H,27,29)
InChIKeyGTHGRBGCWCFEBO-UHFFFAOYSA-N
MW442.73 g/mol
LogP6.96
Rot. Bonds4

About 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (PubChem CID 58006486) has the molecular formula C22H14Cl3N3O and a molecular weight of 442.73 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
PubChem CID58006486
Molecular FormulaC22H14Cl3N3O
Molecular Weight442.73 g/mol
Exact Mass441.02
IUPAC Name2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H14Cl3N3O/c23-17-10-9-14(27-22(29)15-7-4-8-18(24)20(15)25)11-16(17)21-26-12-19(28-21)13-5-2-1-3-6-13/h1-12H,(H,26,28)(H,27,29)
InChIKeyGTHGRBGCWCFEBO-UHFFFAOYSA-N
XLogP6.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (CID 58006486) is 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The InChIKey is GTHGRBGCWCFEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O/c23-17-10-9-14(27-22(29)15-7-4-8-18(24)20(15)25)11-16(17)21-26-12-19(28-21)13-5-2-1-3-6-13/h1-12H,(H,26,28)(H,27,29).
What are the key properties of 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide has a molecular weight of 442.73 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 58006486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).