3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one

C23H24N6O2S — CID 155984931

About 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 155984931) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 155984931
• Molecular Formula: C23H24N6O2S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.17
• IUPAC Name: 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: Cc1cnc(Nc2cccc(C3CN(C(=O)CCn4cnc5ccccc54)CCO3)n2)s1
• InChI: InChI=1S/C23H24N6O2S/c1-16-13-24-23(32-16)27-21-8-4-6-18(26-21)20-14-28(11-12-31-20)22(30)9-10-29-15-25-17-5-2-3-7-19(17)29/h2-8,13,15,20H,9-12,14H2,1H3,(H,24,26,27)
• InChIKey: GJBXZTBZFIZHBR-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 155984931) is 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is Cc1cnc(Nc2cccc(C3CN(C(=O)CCn4cnc5ccccc54)CCO3)n2)s1.

What is the InChIKey of 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The InChIKey is GJBXZTBZFIZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-16-13-24-23(32-16)27-21-8-4-6-18(26-21)20-14-28(11-12-31-20)22(30)9-10-29-15-25-17-5-2-3-7-19(17)29/h2-8,13,15,20H,9-12,14H2,1H3,(H,24,26,27).

What are the key properties of 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 448.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 155984931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).