5-methoxy-1-methylbenzimidazole

C9H10N2O — CID 4292780

IUPAC5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2C
InChIInChI=1S/C9H10N2O/c1-11-6-10-8-5-7(12-2)3-4-9(8)11/h3-6H,1-2H3
InChIKeyHQACNRVQEIYCKZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About 5-methoxy-1-methylbenzimidazole

5-methoxy-1-methylbenzimidazole (PubChem CID 4292780) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name5-methoxy-1-methylbenzimidazole
PubChem CID4292780
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2C
InChIInChI=1S/C9H10N2O/c1-11-6-10-8-5-7(12-2)3-4-9(8)11/h3-6H,1-2H3
InChIKeyHQACNRVQEIYCKZ-UHFFFAOYSA-N
XLogP1.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylbenzimidazole?
The IUPAC name of 5-methoxy-1-methylbenzimidazole (CID 4292780) is 5-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 5-methoxy-1-methylbenzimidazole?
The canonical SMILES for 5-methoxy-1-methylbenzimidazole is COc1ccc2c(c1)ncn2C.
What is the InChIKey of 5-methoxy-1-methylbenzimidazole?
The InChIKey is HQACNRVQEIYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-6-10-8-5-7(12-2)3-4-9(8)11/h3-6H,1-2H3.
What are the key properties of 5-methoxy-1-methylbenzimidazole?
5-methoxy-1-methylbenzimidazole has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 4292780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).