4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

C24H27N5O2 — CID 159824014

About 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 159824014) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
• PubChem CID: 159824014
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
• SMILES: Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(N)=O)c3)ccc21.[H][H]
• InChI: InChI=1S/C24H25N5O2.H2/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)29(23)4)31-18-10-11-26-20(14-18)22(25)30;/h5-14H,1-4H3,(H2,25,30)(H,27,28);1H
• InChIKey: NMPFYSLEZNNLLZ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The IUPAC name of 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 159824014) is 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(N)=O)c3)ccc21.[H][H].

What is the InChIKey of 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The InChIKey is NMPFYSLEZNNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.H2/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)29(23)4)31-18-10-11-26-20(14-18)22(25)30;/h5-14H,1-4H3,(H2,25,30)(H,27,28);1H.

What are the key properties of 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?

4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 417.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159824014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).