2-ethyl-4,7-dimethoxy-1H-benzimidazole

C11H14N2O2 — CID 67341831

IUPAC2-ethyl-4,7-dimethoxy-1H-benzimidazole
SMILESCCc1nc2c(OC)ccc(OC)c2[nH]1
InChIInChI=1S/C11H14N2O2/c1-4-9-12-10-7(14-2)5-6-8(15-3)11(10)13-9/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyGRWBWIOKCBVWDK-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.14
Rot. Bonds3

About 2-ethyl-4,7-dimethoxy-1H-benzimidazole

2-ethyl-4,7-dimethoxy-1H-benzimidazole (PubChem CID 67341831) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-ethyl-4,7-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-4,7-dimethoxy-1H-benzimidazole
PubChem CID67341831
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-4,7-dimethoxy-1H-benzimidazole
SMILESCCc1nc2c(OC)ccc(OC)c2[nH]1
InChIInChI=1S/C11H14N2O2/c1-4-9-12-10-7(14-2)5-6-8(15-3)11(10)13-9/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyGRWBWIOKCBVWDK-UHFFFAOYSA-N
XLogP2.14
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-ethyl-4,7-dimethoxy-1H-benzimidazole (CID 67341831) is 2-ethyl-4,7-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-ethyl-4,7-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-ethyl-4,7-dimethoxy-1H-benzimidazole is CCc1nc2c(OC)ccc(OC)c2[nH]1.
What is the InChIKey of 2-ethyl-4,7-dimethoxy-1H-benzimidazole?
The InChIKey is GRWBWIOKCBVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-9-12-10-7(14-2)5-6-8(15-3)11(10)13-9/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-4,7-dimethoxy-1H-benzimidazole?
2-ethyl-4,7-dimethoxy-1H-benzimidazole has a molecular weight of 206.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 67341831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).