N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

C25H25N5O — CID 56925544

About N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 56925544) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 56925544
• Molecular Formula: C25H25N5O
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.21
• IUPAC Name: N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
• SMILES: COc1ccc2nc(-c3cccc(-c4nc5ccccn5c4NC(C)(C)C)c3)[nH]c2c1
• InChI: InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
• InChIKey: ISCVINRUZPXLTR-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 67.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 56925544) is N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc2nc(-c3cccc(-c4nc5ccccn5c4NC(C)(C)C)c3)[nH]c2c1.

What is the InChIKey of N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?

The InChIKey is ISCVINRUZPXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27).

What are the key properties of N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?

N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 411.51 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 56925544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).