1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole

C18H18N2O3 — CID 70763424

IUPAC1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole
SMILESCc1cc2c(cc1-c1nccn1CCCc1ccco1)OCO2
InChIInChI=1S/C18H18N2O3/c1-13-10-16-17(23-12-22-16)11-15(13)18-19-6-8-20(18)7-2-4-14-5-3-9-21-14/h3,5-6,8-11H,2,4,7,12H2,1H3
InChIKeyVFGYRNHGXLZXGX-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole

1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole (PubChem CID 70763424) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole
PubChem CID70763424
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole
SMILESCc1cc2c(cc1-c1nccn1CCCc1ccco1)OCO2
InChIInChI=1S/C18H18N2O3/c1-13-10-16-17(23-12-22-16)11-15(13)18-19-6-8-20(18)7-2-4-14-5-3-9-21-14/h3,5-6,8-11H,2,4,7,12H2,1H3
InChIKeyVFGYRNHGXLZXGX-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 169417860
5-ethyl-2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 56867577
1-[2-(furan-2-yl)ethyl]-2-(4-pyrazol-1-ylphenyl)imidazole
CID 56879404
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole
CID 155911948
N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide
CID 70711455
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide
CID 56875262
4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
CID 142640348
3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine
CID 116836554
2-(6-methyl-1,3-benzodioxol-5-yl)-1-[1-(4-methylsulfonylphenyl)ethyl]imidazole
CID 70728010
[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 154821234
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
acetic acid;3-[[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
CID 171321641

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole?
The IUPAC name of 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole (CID 70763424) is 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole.
What is the SMILES notation for 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole?
The canonical SMILES for 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole is Cc1cc2c(cc1-c1nccn1CCCc1ccco1)OCO2.
What is the InChIKey of 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole?
The InChIKey is VFGYRNHGXLZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-10-16-17(23-12-22-16)11-15(13)18-19-6-8-20(18)7-2-4-14-5-3-9-21-14/h3,5-6,8-11H,2,4,7,12H2,1H3.
What are the key properties of 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole?
1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole has a molecular weight of 310.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole is sourced from PubChem (CID 70763424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).