5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one

C31H32N4O — CID 140865401

About 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one

5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 140865401) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 140865401
• Molecular Formula: C31H32N4O
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.26
• IUPAC Name: 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one
• SMILES: CC(C)c1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)c[nH]c2=O)n3C)c1
• InChI: InChI=1S/C31H32N4O/c1-19(2)20-14-21(16-22(15-20)26-11-7-8-13-32-26)24-10-9-12-27-28(24)34-29(35(27)6)25-17-23(31(3,4)5)18-33-30(25)36/h7-19H,1-6H3,(H,33,36)
• InChIKey: GSXUFSQGTDBAOU-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one (CID 140865401) is 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one is CC(C)c1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)c[nH]c2=O)n3C)c1.

What is the InChIKey of 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one?

The InChIKey is GSXUFSQGTDBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O/c1-19(2)20-14-21(16-22(15-20)26-11-7-8-13-32-26)24-10-9-12-27-28(24)34-29(35(27)6)25-17-23(31(3,4)5)18-33-30(25)36/h7-19H,1-6H3,(H,33,36).

What are the key properties of 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one?

5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 476.62 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 140865401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).