2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole

C18H18N2O3 — CID 95209576

IUPAC2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1ccoc1
InChIInChI=1S/C18H18N2O3/c1-13(8-14-2-3-16-17(9-14)23-12-22-16)18-19-5-6-20(18)10-15-4-7-21-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1
InChIKeyBHEPLXZPSIBLFC-CYBMUJFWSA-N
MW310.35 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole

2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole (PubChem CID 95209576) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole.

Molecular Properties

Compound Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
PubChem CID95209576
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1ccoc1
InChIInChI=1S/C18H18N2O3/c1-13(8-14-2-3-16-17(9-14)23-12-22-16)18-19-5-6-20(18)10-15-4-7-21-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1
InChIKeyBHEPLXZPSIBLFC-CYBMUJFWSA-N
XLogP3.60
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
CID 56751275
2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
CID 70723748
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
CID 95205234
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole?
The IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole (CID 95209576) is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole.
What is the SMILES notation for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole?
The canonical SMILES for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole is C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1ccoc1.
What is the InChIKey of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole?
The InChIKey is BHEPLXZPSIBLFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(8-14-2-3-16-17(9-14)23-12-22-16)18-19-5-6-20(18)10-15-4-7-21-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole?
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole has a molecular weight of 310.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole is sourced from PubChem (CID 95209576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).