1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole

C19H16Cl2N2O2 — CID 12761773

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole
SMILESClc1cccc(Cl)c1Cn1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C19H16Cl2N2O2/c20-15-4-3-5-16(21)14(15)11-23-9-8-22-19(23)10-13-12-24-17-6-1-2-7-18(17)25-13/h1-9,13H,10-12H2
InChIKeyQNOHADMIEBVENG-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.62
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole

1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole (PubChem CID 12761773) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole
PubChem CID12761773
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole
SMILESClc1cccc(Cl)c1Cn1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C19H16Cl2N2O2/c20-15-4-3-5-16(21)14(15)11-23-9-8-22-19(23)10-13-12-24-17-6-1-2-7-18(17)25-13/h1-9,13H,10-12H2
InChIKeyQNOHADMIEBVENG-UHFFFAOYSA-N
XLogP4.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole (CID 12761773) is 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole is Clc1cccc(Cl)c1Cn1ccnc1CC1COc2ccccc2O1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole?
The InChIKey is QNOHADMIEBVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-15-4-3-5-16(21)14(15)11-23-9-8-22-19(23)10-13-12-24-17-6-1-2-7-18(17)25-13/h1-9,13H,10-12H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole?
1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole has a molecular weight of 375.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole is sourced from PubChem (CID 12761773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).