4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol

C34H36N4O — CID 67210047

About 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol

4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol (PubChem CID 67210047) has the molecular formula C34H36N4O and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol.

Molecular Properties

• Compound Name: 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol
• PubChem CID: 67210047
• Molecular Formula: C34H36N4O
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.29
• IUPAC Name: 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol
• SMILES: CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1cccc(C)n1
• InChI: InChI=1S/C34H36N4O/c1-3-4-22-38-32(33(28-13-7-5-8-14-28)36-34(38)29-15-9-6-10-16-29)25-37(23-27-18-20-31(39)21-19-27)24-30-17-11-12-26(2)35-30/h5-21,39H,3-4,22-25H2,1-2H3
• InChIKey: QEKGVSGMPCLWBD-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol?

The IUPAC name of 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol (CID 67210047) is 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol.

What is the SMILES notation for 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol?

The canonical SMILES for 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1cccc(C)n1.

What is the InChIKey of 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol?

The InChIKey is QEKGVSGMPCLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O/c1-3-4-22-38-32(33(28-13-7-5-8-14-28)36-34(38)29-15-9-6-10-16-29)25-37(23-27-18-20-31(39)21-19-27)24-30-17-11-12-26(2)35-30/h5-21,39H,3-4,22-25H2,1-2H3.

What are the key properties of 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol?

4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol has a molecular weight of 516.69 g/mol, XLogP of 7.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol is sourced from PubChem (CID 67210047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).