2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

C14H18N2O2 — CID 11778554

IUPAC2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCCCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H18N2O2/c1-2-7-14(13-15-8-9-16-13)10-17-11-5-3-4-6-12(11)18-14/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKeyAQZHHOSUKLKRDY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds3

About 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 11778554) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID11778554
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCCCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H18N2O2/c1-2-7-14(13-15-8-9-16-13)10-17-11-5-3-4-6-12(11)18-14/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKeyAQZHHOSUKLKRDY-UHFFFAOYSA-N
XLogP2.00
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 54459
CID 54459
CID 154494
CID 154494
CID 108094
CID 108094
CID 125992
CID 125992
CID 11957683
CID 11957683
CID 180710
CID 180710
CID 13318658
CID 13318658
CID 13318659
CID 13318659
CID 6603887
CID 6603887
CID 10014164
CID 10014164
CID 10330988
CID 10330988
CID 11778449
CID 11778449

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 11778554) is 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is CCCC1(C2=NCCN2)COc2ccccc2O1.
What is the InChIKey of 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is AQZHHOSUKLKRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-7-14(13-15-8-9-16-13)10-17-11-5-3-4-6-12(11)18-14/h3-6H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 246.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11778554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).