4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen

C27H35N5O3 — CID 158503774

About 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen

4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen (PubChem CID 158503774) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
• PubChem CID: 158503774
• Molecular Formula: C27H35N5O3
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.27
• IUPAC Name: 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
• SMILES: CCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCO)c4)ccc3n2C)cc1C(C)C.[H][H].[H][H]
• InChI: InChI=1S/C27H31N5O3.2H2/c1-5-18-6-7-19(14-22(18)17(2)3)30-27-31-23-15-20(8-9-25(23)32(27)4)35-21-10-11-28-24(16-21)26(34)29-12-13-33;;/h6-11,14-17,33H,5,12-13H2,1-4H3,(H,29,34)(H,30,31);2*1H
• InChIKey: HKFLFDIBNOSSLH-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen?

The IUPAC name of 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen (CID 158503774) is 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen is CCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCO)c4)ccc3n2C)cc1C(C)C.[H][H].[H][H].

What is the InChIKey of 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen?

The InChIKey is HKFLFDIBNOSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3.2H2/c1-5-18-6-7-19(14-22(18)17(2)3)30-27-31-23-15-20(8-9-25(23)32(27)4)35-21-10-11-28-24(16-21)26(34)29-12-13-33;;/h6-11,14-17,33H,5,12-13H2,1-4H3,(H,29,34)(H,30,31);2*1H.

What are the key properties of 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen?

4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 477.61 g/mol, XLogP of 5.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158503774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).