5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine

C24H30N6 — CID 87607413

About 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine

5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 87607413) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
• PubChem CID: 87607413
• Molecular Formula: C24H30N6
• Molecular Weight: 402.55 g/mol
• Exact Mass: 402.25
• IUPAC Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
• SMILES: CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccccc3)nc21
• InChI: InChI=1S/C24H30N6/c1-23(2,3)14-30-20-17(27-22(30)25)13-12-16(26-20)19-18(15-10-8-7-9-11-15)28-21(29-19)24(4,5)6/h7-13H,14H2,1-6H3,(H2,25,27)(H,28,29)
• InChIKey: BPUBJXPVBZASHY-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 85.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine (CID 87607413) is 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine is CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccccc3)nc21.

What is the InChIKey of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?

The InChIKey is BPUBJXPVBZASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-23(2,3)14-30-20-17(27-22(30)25)13-12-16(26-20)19-18(15-10-8-7-9-11-15)28-21(29-19)24(4,5)6/h7-13H,14H2,1-6H3,(H2,25,27)(H,28,29).

What are the key properties of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?

5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 402.55 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 87607413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).