5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

C18H20N2O2 — CID 39158365

IUPAC5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCOc1cc2nc(CCc3ccc(C)cc3)[nH]c2cc1OC
InChIInChI=1S/C18H20N2O2/c1-12-4-6-13(7-5-12)8-9-18-19-14-10-16(21-2)17(22-3)11-15(14)20-18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyYLPJGCDILDIXSY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds5

About 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (PubChem CID 39158365) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
PubChem CID39158365
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCOc1cc2nc(CCc3ccc(C)cc3)[nH]c2cc1OC
InChIInChI=1S/C18H20N2O2/c1-12-4-6-13(7-5-12)8-9-18-19-14-10-16(21-2)17(22-3)11-15(14)20-18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyYLPJGCDILDIXSY-UHFFFAOYSA-N
XLogP3.67
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
CID 62504109
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82336988
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (CID 39158365) is 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is COc1cc2nc(CCc3ccc(C)cc3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The InChIKey is YLPJGCDILDIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-4-6-13(7-5-12)8-9-18-19-14-10-16(21-2)17(22-3)11-15(14)20-18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 39158365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).