2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole

C22H20N2O2 — CID 19224116

IUPAC2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H20N2O2/c1-15-7-3-4-8-17(15)14-26-20-12-11-16(13-21(20)25-2)22-23-18-9-5-6-10-19(18)24-22/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyQGOYYHWFRIXEAK-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.13
Rot. Bonds5

About 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole

2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole (PubChem CID 19224116) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
PubChem CID19224116
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H20N2O2/c1-15-7-3-4-8-17(15)14-26-20-12-11-16(13-21(20)25-2)22-23-18-9-5-6-10-19(18)24-22/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyQGOYYHWFRIXEAK-UHFFFAOYSA-N
XLogP5.13
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
CID 91902866
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole
CID 91104957
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole (CID 19224116) is 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C.
What is the InChIKey of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole?
The InChIKey is QGOYYHWFRIXEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-7-3-4-8-17(15)14-26-20-12-11-16(13-21(20)25-2)22-23-18-9-5-6-10-19(18)24-22/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole?
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 5.13, 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-methylphenyl)methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 19224116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).