4-methoxy-5-methyl-1H-benzimidazole

C9H10N2O — CID 91306611

IUPAC4-methoxy-5-methyl-1H-benzimidazole
SMILESCOc1c(C)ccc2[nH]cnc12
InChIInChI=1S/C9H10N2O/c1-6-3-4-7-8(9(6)12-2)11-5-10-7/h3-5H,1-2H3,(H,10,11)
InChIKeyVWBGNXAMZZGCSO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.88
Rot. Bonds1

About 4-methoxy-5-methyl-1H-benzimidazole

4-methoxy-5-methyl-1H-benzimidazole (PubChem CID 91306611) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-methoxy-5-methyl-1H-benzimidazole
PubChem CID91306611
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-methoxy-5-methyl-1H-benzimidazole
SMILESCOc1c(C)ccc2[nH]cnc12
InChIInChI=1S/C9H10N2O/c1-6-3-4-7-8(9(6)12-2)11-5-10-7/h3-5H,1-2H3,(H,10,11)
InChIKeyVWBGNXAMZZGCSO-UHFFFAOYSA-N
XLogP1.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1H-benzimidazole?
The IUPAC name of 4-methoxy-5-methyl-1H-benzimidazole (CID 91306611) is 4-methoxy-5-methyl-1H-benzimidazole.
What is the SMILES notation for 4-methoxy-5-methyl-1H-benzimidazole?
The canonical SMILES for 4-methoxy-5-methyl-1H-benzimidazole is COc1c(C)ccc2[nH]cnc12.
What is the InChIKey of 4-methoxy-5-methyl-1H-benzimidazole?
The InChIKey is VWBGNXAMZZGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-3-4-7-8(9(6)12-2)11-5-10-7/h3-5H,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-5-methyl-1H-benzimidazole?
4-methoxy-5-methyl-1H-benzimidazole has a molecular weight of 162.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1H-benzimidazole is sourced from PubChem (CID 91306611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).