2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol

C34H32N4O2 — CID 136762946

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol (PubChem CID 136762946) has the molecular formula C34H32N4O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol.

Molecular Properties

• Compound Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol
• PubChem CID: 136762946
• Molecular Formula: C34H32N4O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.25
• IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol
• SMILES: C=C(Cc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O)Cc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O
• InChI: InChI=1S/C34H32N4O2/c1-18(12-23-8-6-10-25(31(23)39)33-35-27-14-19(2)20(3)15-28(27)36-33)13-24-9-7-11-26(32(24)40)34-37-29-16-21(4)22(5)17-30(29)38-34/h6-11,14-17,39-40H,1,12-13H2,2-5H3,(H,35,36)(H,37,38)
• InChIKey: HMXFDHJVNFFHKE-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 97.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol?

The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol (CID 136762946) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol.

What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol?

The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol is C=C(Cc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O)Cc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O.

What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol?

The InChIKey is HMXFDHJVNFFHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O2/c1-18(12-23-8-6-10-25(31(23)39)33-35-27-14-19(2)20(3)15-28(27)36-33)13-24-9-7-11-26(32(24)40)34-37-29-16-21(4)22(5)17-30(29)38-34/h6-11,14-17,39-40H,1,12-13H2,2-5H3,(H,35,36)(H,37,38).

What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol?

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol has a molecular weight of 528.66 g/mol, XLogP of 7.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol is sourced from PubChem (CID 136762946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).