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

C18H14N4O2 — CID 11313172

IUPAC2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(-c2ncc[nH]2)c1
InChIInChI=1S/C18H14N4O2/c1-2-4-12(11(3-1)17-19-5-6-20-17)18-21-13-9-15-16(10-14(13)22-18)24-8-7-23-15/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22)
InChIKeyZMTGGUOBTUCESL-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.39
Rot. Bonds2

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

2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 11313172) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID11313172
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(-c2ncc[nH]2)c1
InChIInChI=1S/C18H14N4O2/c1-2-4-12(11(3-1)17-19-5-6-20-17)18-21-13-9-15-16(10-14(13)22-18)24-8-7-23-15/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22)
InChIKeyZMTGGUOBTUCESL-UHFFFAOYSA-N
XLogP3.39
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 11313172) is 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is ZMTGGUOBTUCESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-2-4-12(11(3-1)17-19-5-6-20-17)18-21-13-9-15-16(10-14(13)22-18)24-8-7-23-15/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 318.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 11313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).