(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol

C18H26N2O3 — CID 67867510

IUPAC(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol
SMILESCCCCN1CNC=C1C(O)c1cccc2c1OC(C)(C)OC2
InChIInChI=1S/C18H26N2O3/c1-4-5-9-20-12-19-10-15(20)16(21)14-8-6-7-13-11-22-18(2,3)23-17(13)14/h6-8,10,16,19,21H,4-5,9,11-12H2,1-3H3
InChIKeyVTEPXZOEGOHCRO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.87
Rot. Bonds5

About (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol

(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol (PubChem CID 67867510) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol.

Molecular Properties

Compound Name(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol
PubChem CID67867510
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol
SMILESCCCCN1CNC=C1C(O)c1cccc2c1OC(C)(C)OC2
InChIInChI=1S/C18H26N2O3/c1-4-5-9-20-12-19-10-15(20)16(21)14-8-6-7-13-11-22-18(2,3)23-17(13)14/h6-8,10,16,19,21H,4-5,9,11-12H2,1-3H3
InChIKeyVTEPXZOEGOHCRO-UHFFFAOYSA-N
XLogP2.87
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol?
The IUPAC name of (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol (CID 67867510) is (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol.
What is the SMILES notation for (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol?
The canonical SMILES for (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol is CCCCN1CNC=C1C(O)c1cccc2c1OC(C)(C)OC2.
What is the InChIKey of (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol?
The InChIKey is VTEPXZOEGOHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-9-20-12-19-10-15(20)16(21)14-8-6-7-13-11-22-18(2,3)23-17(13)14/h6-8,10,16,19,21H,4-5,9,11-12H2,1-3H3.
What are the key properties of (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol?
(3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol has a molecular weight of 318.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1,2-dihydroimidazol-4-yl)-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol is sourced from PubChem (CID 67867510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).