1-ethyl-4,7-dimethoxybenzimidazole

C11H14N2O2 — CID 13295891

IUPAC1-ethyl-4,7-dimethoxybenzimidazole
SMILESCCn1cnc2c(OC)ccc(OC)c21
InChIInChI=1S/C11H14N2O2/c1-4-13-7-12-10-8(14-2)5-6-9(15-3)11(10)13/h5-7H,4H2,1-3H3
InChIKeyMSTAONOQUAGGOM-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.07
Rot. Bonds3

About 1-ethyl-4,7-dimethoxybenzimidazole

1-ethyl-4,7-dimethoxybenzimidazole (PubChem CID 13295891) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-ethyl-4,7-dimethoxybenzimidazole.

Molecular Properties

Compound Name1-ethyl-4,7-dimethoxybenzimidazole
PubChem CID13295891
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-4,7-dimethoxybenzimidazole
SMILESCCn1cnc2c(OC)ccc(OC)c21
InChIInChI=1S/C11H14N2O2/c1-4-13-7-12-10-8(14-2)5-6-9(15-3)11(10)13/h5-7H,4H2,1-3H3
InChIKeyMSTAONOQUAGGOM-UHFFFAOYSA-N
XLogP2.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510
5-Substituted 1-Phenylbenzimidazole 21
CID 5328511
dimethyl({2-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]ethyl})amine
CID 5328506
5-methoxy-1-phenyl-1H-1,3-benzodiazol-4-ol
CID 5328518
5-Substituted 1-Phenylbenzimidazole 30
CID 5328520
1-[2-(3-Benzoimidazol-1-yl-propoxy)-6-dimethylamino-phenyl]-3-pentyl-urea
CID 10251723
1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
CID 74545
1-(2-phenoxyethyl)-1H-benzimidazole
CID 709562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,7-dimethoxybenzimidazole?
The IUPAC name of 1-ethyl-4,7-dimethoxybenzimidazole (CID 13295891) is 1-ethyl-4,7-dimethoxybenzimidazole.
What is the SMILES notation for 1-ethyl-4,7-dimethoxybenzimidazole?
The canonical SMILES for 1-ethyl-4,7-dimethoxybenzimidazole is CCn1cnc2c(OC)ccc(OC)c21.
What is the InChIKey of 1-ethyl-4,7-dimethoxybenzimidazole?
The InChIKey is MSTAONOQUAGGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-13-7-12-10-8(14-2)5-6-9(15-3)11(10)13/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-4,7-dimethoxybenzimidazole?
1-ethyl-4,7-dimethoxybenzimidazole has a molecular weight of 206.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,7-dimethoxybenzimidazole is sourced from PubChem (CID 13295891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).