5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide

C25H24Cl2N6O2 — CID 18727836

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide (PubChem CID 18727836) has the molecular formula C25H24Cl2N6O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide
• PubChem CID: 18727836
• Molecular Formula: C25H24Cl2N6O2
• Molecular Weight: 511.41 g/mol
• Exact Mass: 510.13
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide
• SMILES: CN1CCN=C1N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C25H24Cl2N6O2/c1-32-12-11-28-25(32)33(2)15-16-3-5-17(6-4-16)23(34)30-21-9-7-18(26)13-20(21)24(35)31-22-10-8-19(27)14-29-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,29,31,35)
• InChIKey: HSOCJKVGABNCFC-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 89.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.41
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide (CID 18727836) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide is CN1CCN=C1N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide?

The InChIKey is HSOCJKVGABNCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O2/c1-32-12-11-28-25(32)33(2)15-16-3-5-17(6-4-16)23(34)30-21-9-7-18(26)13-20(21)24(35)31-22-10-8-19(27)14-29-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,29,31,35).

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide?

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide has a molecular weight of 511.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl-(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 18727836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).