2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole

C29H24N4O2 — CID 17325420

IUPAC2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C29H24N4O2/c1-34-22-9-5-20(6-10-22)28-30-24-13-3-18(16-26(24)32-28)15-19-4-14-25-27(17-19)33-29(31-25)21-7-11-23(35-2)12-8-21/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyUAHNYHPLYYIAEP-UHFFFAOYSA-N
MW460.54 g/mol
LogP6.38
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole

2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole (PubChem CID 17325420) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole
PubChem CID17325420
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C29H24N4O2/c1-34-22-9-5-20(6-10-22)28-30-24-13-3-18(16-26(24)32-28)15-19-4-14-25-27(17-19)33-29(31-25)21-7-11-23(35-2)12-8-21/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyUAHNYHPLYYIAEP-UHFFFAOYSA-N
XLogP6.38
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole (CID 17325420) is 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole is COc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole?
The InChIKey is UAHNYHPLYYIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-34-22-9-5-20(6-10-22)28-30-24-13-3-18(16-26(24)32-28)15-19-4-14-25-27(17-19)33-29(31-25)21-7-11-23(35-2)12-8-21/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole?
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole has a molecular weight of 460.54 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 17325420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).