4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C25H20N4OS — CID 60541926

About 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 60541926) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
• PubChem CID: 60541926
• Molecular Formula: C25H20N4OS
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.14
• IUPAC Name: 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cn5ccnc5)cc4)cc3)sc2c1
• InChI: InChI=1S/C25H20N4OS/c1-17-2-11-22-23(14-17)31-25(28-22)20-7-9-21(10-8-20)27-24(30)19-5-3-18(4-6-19)15-29-13-12-26-16-29/h2-14,16H,15H2,1H3,(H,27,30)
• InChIKey: RGWLCAJBXQSDAF-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 60541926) is 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cn5ccnc5)cc4)cc3)sc2c1.

What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The InChIKey is RGWLCAJBXQSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-17-2-11-22-23(14-17)31-25(28-22)20-7-9-21(10-8-20)27-24(30)19-5-3-18(4-6-19)15-29-13-12-26-16-29/h2-14,16H,15H2,1H3,(H,27,30).

What are the key properties of 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 60541926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).