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

C25H26N2O2 — CID 19224663

IUPAC2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1cc(C)c(C)cc1C
InChIInChI=1S/C25H26N2O2/c1-15-6-8-21-22(10-15)27-25(26-21)19-7-9-23(24(13-19)28-5)29-14-20-12-17(3)16(2)11-18(20)4/h6-13H,14H2,1-5H3,(H,26,27)
InChIKeySJIGANJQVXNTPT-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.05
Rot. Bonds5

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

2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole (PubChem CID 19224663) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
PubChem CID19224663
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1cc(C)c(C)cc1C
InChIInChI=1S/C25H26N2O2/c1-15-6-8-21-22(10-15)27-25(26-21)19-7-9-23(24(13-19)28-5)29-14-20-12-17(3)16(2)11-18(20)4/h6-13H,14H2,1-5H3,(H,26,27)
InChIKeySJIGANJQVXNTPT-UHFFFAOYSA-N
XLogP6.05
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
CID 91902866
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole (CID 19224663) is 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole is COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1cc(C)c(C)cc1C.
What is the InChIKey of 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is SJIGANJQVXNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-15-6-8-21-22(10-15)27-25(26-21)19-7-9-23(24(13-19)28-5)29-14-20-12-17(3)16(2)11-18(20)4/h6-13H,14H2,1-5H3,(H,26,27).
What are the key properties of 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 19224663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).