1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol

C27H30N2O6 — CID 156620613

IUPAC1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(O)COc2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C27H30N2O6/c1-31-22-13-12-18(14-25(22)34-4)15-26-28-20-8-5-6-9-21(20)29(26)16-19(30)17-35-27-23(32-2)10-7-11-24(27)33-3/h5-14,19,30H,15-17H2,1-4H3
InChIKeyMJUJJVYCQSLCNY-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.10
Rot. Bonds11

About 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol

1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol (PubChem CID 156620613) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
PubChem CID156620613
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(O)COc2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C27H30N2O6/c1-31-22-13-12-18(14-25(22)34-4)15-26-28-20-8-5-6-9-21(20)29(26)16-19(30)17-35-27-23(32-2)10-7-11-24(27)33-3/h5-14,19,30H,15-17H2,1-4H3
InChIKeyMJUJJVYCQSLCNY-UHFFFAOYSA-N
XLogP4.10
TPSA84.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 156620639
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol (CID 156620613) is 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol is COc1ccc(Cc2nc3ccccc3n2CC(O)COc2c(OC)cccc2OC)cc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol?
The InChIKey is MJUJJVYCQSLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-31-22-13-12-18(14-25(22)34-4)15-26-28-20-8-5-6-9-21(20)29(26)16-19(30)17-35-27-23(32-2)10-7-11-24(27)33-3/h5-14,19,30H,15-17H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol?
1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol has a molecular weight of 478.55 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 156620613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).