2,4-dimethoxy-1H-benzimidazole

C9H10N2O2 — CID 54200822

IUPAC2,4-dimethoxy-1H-benzimidazole
SMILESCOc1nc2c(OC)cccc2[nH]1
InChIInChI=1S/C9H10N2O2/c1-12-7-5-3-4-6-8(7)11-9(10-6)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyPPCWDOKVYNKIHV-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 2,4-dimethoxy-1H-benzimidazole

2,4-dimethoxy-1H-benzimidazole (PubChem CID 54200822) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,4-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2,4-dimethoxy-1H-benzimidazole
PubChem CID54200822
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2,4-dimethoxy-1H-benzimidazole
SMILESCOc1nc2c(OC)cccc2[nH]1
InChIInChI=1S/C9H10N2O2/c1-12-7-5-3-4-6-8(7)11-9(10-6)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyPPCWDOKVYNKIHV-UHFFFAOYSA-N
XLogP1.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1H-benzimidazole?
The IUPAC name of 2,4-dimethoxy-1H-benzimidazole (CID 54200822) is 2,4-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2,4-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2,4-dimethoxy-1H-benzimidazole is COc1nc2c(OC)cccc2[nH]1.
What is the InChIKey of 2,4-dimethoxy-1H-benzimidazole?
The InChIKey is PPCWDOKVYNKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-5-3-4-6-8(7)11-9(10-6)13-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethoxy-1H-benzimidazole?
2,4-dimethoxy-1H-benzimidazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 54200822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).