2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole

C24H24N2O3 — CID 3160716

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O3/c1-27-22-13-12-18(16-23(22)28-2)17-24-25-20-10-6-7-11-21(20)26(24)14-15-29-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyNCNGSHMYGWSWGA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.72
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole

2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole (PubChem CID 3160716) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
PubChem CID3160716
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O3/c1-27-22-13-12-18(16-23(22)28-2)17-24-25-20-10-6-7-11-21(20)26(24)14-15-29-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyNCNGSHMYGWSWGA-UHFFFAOYSA-N
XLogP4.72
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987415
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979785
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole (CID 3160716) is 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole is COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is NCNGSHMYGWSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-27-22-13-12-18(16-23(22)28-2)17-24-25-20-10-6-7-11-21(20)26(24)14-15-29-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole?
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 388.47 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 3160716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).