6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole

C29H26N2O3 — CID 57393371

IUPAC6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26N2O3/c1-18-5-14-24-25(15-18)31-29(30-24)22-12-10-20(11-13-22)19-6-8-21(9-7-19)23-16-26(32-2)28(34-4)27(17-23)33-3/h5-17H,1-4H3,(H,30,31)
InChIKeyZXJJYFQVIODLIN-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.90
Rot. Bonds6

About 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole

6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole (PubChem CID 57393371) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole
PubChem CID57393371
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26N2O3/c1-18-5-14-24-25(15-18)31-29(30-24)22-12-10-20(11-13-22)19-6-8-21(9-7-19)23-16-26(32-2)28(34-4)27(17-23)33-3/h5-17H,1-4H3,(H,30,31)
InChIKeyZXJJYFQVIODLIN-UHFFFAOYSA-N
XLogP6.90
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole (CID 57393371) is 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole is COc1cc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole?
The InChIKey is ZXJJYFQVIODLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-18-5-14-24-25(15-18)31-29(30-24)22-12-10-20(11-13-22)19-6-8-21(9-7-19)23-16-26(32-2)28(34-4)27(17-23)33-3/h5-17H,1-4H3,(H,30,31).
What are the key properties of 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole?
6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole has a molecular weight of 450.54 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 57393371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).