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

C24H24N2O2 — CID 110534214

IUPAC2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C24H24N2O2/c1-15-5-7-18(8-6-15)14-28-22-10-9-19(13-23(22)27-4)24-25-20-11-16(2)17(3)12-21(20)26-24/h5-13H,14H2,1-4H3,(H,25,26)
InChIKeyVOZXPYOIJHBMJM-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.74
Rot. Bonds5

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

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 110534214) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID110534214
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C24H24N2O2/c1-15-5-7-18(8-6-15)14-28-22-10-9-19(13-23(22)27-4)24-25-20-11-16(2)17(3)12-21(20)26-24/h5-13H,14H2,1-4H3,(H,25,26)
InChIKeyVOZXPYOIJHBMJM-UHFFFAOYSA-N
XLogP5.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
CID 91902866
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole (CID 110534214) is 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole is COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is VOZXPYOIJHBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-15-5-7-18(8-6-15)14-28-22-10-9-19(13-23(22)27-4)24-25-20-11-16(2)17(3)12-21(20)26-24/h5-13H,14H2,1-4H3,(H,25,26).
What are the key properties of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole?
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 5.74, 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-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 110534214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).