2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C14H12N2O3 — CID 43349098

IUPAC2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1occc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H12N2O3/c1-8-9(2-3-17-8)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyKIFGRCJMDRHVNC-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.90
Rot. Bonds1

About 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 43349098) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID43349098
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1occc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H12N2O3/c1-8-9(2-3-17-8)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyKIFGRCJMDRHVNC-UHFFFAOYSA-N
XLogP2.90
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 43349098) is 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Cc1occc1-c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is KIFGRCJMDRHVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-9(2-3-17-8)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 256.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 43349098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).