N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C26H22N4O2S — CID 24621577

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 24621577) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 24621577
• Molecular Formula: C26H22N4O2S
• Molecular Weight: 454.56 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2ccc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)cc2)cs1
• InChI: InChI=1S/C26H22N4O2S/c1-17-29-21(15-33-17)14-32-22-10-7-19(8-11-22)26(31)30-25(18-5-3-2-4-6-18)20-9-12-23-24(13-20)28-16-27-23/h2-13,15-16,25H,14H2,1H3,(H,27,28)(H,30,31)
• InChIKey: CTHLQKHTRFMMSX-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 24621577) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)cc2)cs1.

What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is CTHLQKHTRFMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-17-29-21(15-33-17)14-32-22-10-7-19(8-11-22)26(31)30-25(18-5-3-2-4-6-18)20-9-12-23-24(13-20)28-16-27-23/h2-13,15-16,25H,14H2,1H3,(H,27,28)(H,30,31).

What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 454.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24621577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).