2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C10H12N2O2 — CID 123714263

IUPAC2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC1Nc2cc3c(cc2N1)OCCO3
InChIInChI=1S/C10H12N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-6,11-12H,2-3H2,1H3
InChIKeySCVRNVNFBVKOCU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.64
Rot. Bonds

About 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 123714263) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID123714263
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC1Nc2cc3c(cc2N1)OCCO3
InChIInChI=1S/C10H12N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-6,11-12H,2-3H2,1H3
InChIKeySCVRNVNFBVKOCU-UHFFFAOYSA-N
XLogP1.64
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 82276010
6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 83488305
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156654
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
4-methyl-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole
CID 69245395
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
7-methyl-6-(2-methylpropyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156575
8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
CID 82184556
2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 82276242
7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
CID 79725802
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 123714263) is 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC1Nc2cc3c(cc2N1)OCCO3.
What is the InChIKey of 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is SCVRNVNFBVKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-6,11-12H,2-3H2,1H3.
What are the key properties of 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 192.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 123714263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).