4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

C24H20FN7OS — CID 22019068

About 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 22019068) has the molecular formula C24H20FN7OS and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
• PubChem CID: 22019068
• Molecular Formula: C24H20FN7OS
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.14
• IUPAC Name: 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
• SMILES: Cn1c(NC(=O)c2ccc(F)c(NCc3cnc(Nc4ccccn4)s3)c2)nc2ccccc21
• InChI: InChI=1S/C24H20FN7OS/c1-32-20-7-3-2-6-18(20)29-23(32)31-22(33)15-9-10-17(25)19(12-15)27-13-16-14-28-24(34-16)30-21-8-4-5-11-26-21/h2-12,14,27H,13H2,1H3,(H,26,28,30)(H,29,31,33)
• InChIKey: XIKGNUDXTQXZLV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 96.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?

The IUPAC name of 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 22019068) is 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

What is the SMILES notation for 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?

The canonical SMILES for 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is Cn1c(NC(=O)c2ccc(F)c(NCc3cnc(Nc4ccccn4)s3)c2)nc2ccccc21.

What is the InChIKey of 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?

The InChIKey is XIKGNUDXTQXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7OS/c1-32-20-7-3-2-6-18(20)29-23(32)31-22(33)15-9-10-17(25)19(12-15)27-13-16-14-28-24(34-16)30-21-8-4-5-11-26-21/h2-12,14,27H,13H2,1H3,(H,26,28,30)(H,29,31,33).

What are the key properties of 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?

4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 473.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-(1-methylbenzimidazol-2-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 22019068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).