1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol

C15H18N2O3 — CID 114529055

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c1-17-7-6-16-15(17)5-3-12(18)11-2-4-13-14(10-11)20-9-8-19-13/h2,4,6-7,10,12,18H,3,5,8-9H2,1H3
InChIKeyKHDJDKNOSXRRNC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529055) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529055
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c1-17-7-6-16-15(17)5-3-12(18)11-2-4-13-14(10-11)20-9-8-19-13/h2,4,6-7,10,12,18H,3,5,8-9H2,1H3
InChIKeyKHDJDKNOSXRRNC-UHFFFAOYSA-N
XLogP1.86
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529126
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylpropan-1-ol
CID 71135700
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529055) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is KHDJDKNOSXRRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-7-6-16-15(17)5-3-12(18)11-2-4-13-14(10-11)20-9-8-19-13/h2,4,6-7,10,12,18H,3,5,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 274.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).