2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole

C18H20N2O3 — CID 2946907

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-21-11-10-20-15-7-5-4-6-14(15)19-18(20)13-8-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyGBWXAFZKMGVSSC-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.37
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole

2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole (PubChem CID 2946907) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
PubChem CID2946907
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-21-11-10-20-15-7-5-4-6-14(15)19-18(20)13-8-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyGBWXAFZKMGVSSC-UHFFFAOYSA-N
XLogP3.37
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17001430
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-(3,4-dimethoxyphenyl)benzimidazole
CID 17001450
2-[3-(chloromethyl)phenyl]-1-(2-methoxyethyl)benzimidazole
CID 62388285
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole (CID 2946907) is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole is COCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole?
The InChIKey is GBWXAFZKMGVSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-21-11-10-20-15-7-5-4-6-14(15)19-18(20)13-8-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole?
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole has a molecular weight of 312.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 2946907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).