7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole

C9H8N2O2 — CID 134174901

IUPAC7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)OCO3
InChIInChI=1S/C9H8N2O2/c1-5-10-6-2-3-7-9(8(6)11-5)13-4-12-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyGLWYRPRBHMKYDG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.60
Rot. Bonds

About 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole

7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole (PubChem CID 134174901) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole.

Molecular Properties

Compound Name7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
PubChem CID134174901
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)OCO3
InChIInChI=1S/C9H8N2O2/c1-5-10-6-2-3-7-9(8(6)11-5)13-4-12-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyGLWYRPRBHMKYDG-UHFFFAOYSA-N
XLogP1.60
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole?
The IUPAC name of 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole (CID 134174901) is 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole.
What is the SMILES notation for 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole?
The canonical SMILES for 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole is Cc1nc2c3c(ccc2[nH]1)OCO3.
What is the InChIKey of 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole?
The InChIKey is GLWYRPRBHMKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-10-6-2-3-7-9(8(6)11-5)13-4-12-7/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole?
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole has a molecular weight of 176.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole is sourced from PubChem (CID 134174901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).