2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole

C22H20N2O3 — CID 110535118

IUPAC2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-25-19-12-16(22-23-17-10-6-7-11-18(17)24-22)13-20(26-2)21(19)27-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyTWEPMUKKAYMWEC-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.83
Rot. Bonds6

About 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole

2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole (PubChem CID 110535118) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
PubChem CID110535118
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-25-19-12-16(22-23-17-10-6-7-11-18(17)24-22)13-20(26-2)21(19)27-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyTWEPMUKKAYMWEC-UHFFFAOYSA-N
XLogP4.83
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
CID 168555061
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole (CID 110535118) is 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole?
The InChIKey is TWEPMUKKAYMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-19-12-16(22-23-17-10-6-7-11-18(17)24-22)13-20(26-2)21(19)27-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole?
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole has a molecular weight of 360.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 110535118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).