4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide

C20H15BrN4OS — CID 51700910

IUPAC4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
SMILESCc1ncc(NC(=O)c2ccc(Br)cc2)n1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H15BrN4OS/c1-13-22-11-18(24-19(26)15-7-9-16(21)10-8-15)25(13)20-23-17(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)
InChIKeyAEMCGUQCMZFAAG-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.32
Rot. Bonds4

About 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide

4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide (PubChem CID 51700910) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
PubChem CID51700910
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC Name4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
SMILESCc1ncc(NC(=O)c2ccc(Br)cc2)n1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H15BrN4OS/c1-13-22-11-18(24-19(26)15-7-9-16(21)10-8-15)25(13)20-23-17(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)
InChIKeyAEMCGUQCMZFAAG-UHFFFAOYSA-N
XLogP5.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide (CID 51700910) is 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide is Cc1ncc(NC(=O)c2ccc(Br)cc2)n1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The InChIKey is AEMCGUQCMZFAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c1-13-22-11-18(24-19(26)15-7-9-16(21)10-8-15)25(13)20-23-17(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26).
What are the key properties of 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide has a molecular weight of 439.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide is sourced from PubChem (CID 51700910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).