N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

C24H18ClN5OS — CID 168583359

About N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 168583359) has the molecular formula C24H18ClN5OS and a molecular weight of 459.96 g/mol. Its IUPAC name is N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
• PubChem CID: 168583359
• Molecular Formula: C24H18ClN5OS
• Molecular Weight: 459.96 g/mol
• Exact Mass: 459.09
• IUPAC Name: N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2nc3ccc(NCc4cnc(Cl)s4)cc3[nH]2)cc1)c1ccccc1
• InChI: InChI=1S/C24H18ClN5OS/c25-24-27-14-19(32-24)13-26-18-10-11-20-21(12-18)30-22(29-20)15-6-8-17(9-7-15)28-23(31)16-4-2-1-3-5-16/h1-12,14,26H,13H2,(H,28,31)(H,29,30)
• InChIKey: MSOQWIFJQUBKOY-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.96
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The IUPAC name of N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 168583359) is N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.

What is the SMILES notation for N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The canonical SMILES for N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc(NCc4cnc(Cl)s4)cc3[nH]2)cc1)c1ccccc1.

What is the InChIKey of N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The InChIKey is MSOQWIFJQUBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5OS/c25-24-27-14-19(32-24)13-26-18-10-11-20-21(12-18)30-22(29-20)15-6-8-17(9-7-15)28-23(31)16-4-2-1-3-5-16/h1-12,14,26H,13H2,(H,28,31)(H,29,30).

What are the key properties of N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 459.96 g/mol, XLogP of 6.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 168583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).