1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole

C19H16N2O4 — CID 138384537

IUPAC1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
SMILESCOc1cc(-c2nccn2-c2cccc3c2CCO3)cc2c1OCO2
InChIInChI=1S/C19H16N2O4/c1-22-16-9-12(10-17-18(16)25-11-24-17)19-20-6-7-21(19)14-3-2-4-15-13(14)5-8-23-15/h2-4,6-7,9-10H,5,8,11H2,1H3
InChIKeyYDXPJTDTYBPMQQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole

1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole (PubChem CID 138384537) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
PubChem CID138384537
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
SMILESCOc1cc(-c2nccn2-c2cccc3c2CCO3)cc2c1OCO2
InChIInChI=1S/C19H16N2O4/c1-22-16-9-12(10-17-18(16)25-11-24-17)19-20-6-7-21(19)14-3-2-4-15-13(14)5-8-23-15/h2-4,6-7,9-10H,5,8,11H2,1H3
InChIKeyYDXPJTDTYBPMQQ-UHFFFAOYSA-N
XLogP3.21
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine
CID 138379325
2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 138387378
2-[3-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70787827
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56872081
3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 138382909
formic acid;2-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 154923455
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
CID 134822509
4-tert-butyl-1,3-benzodioxole;6-tert-butyl-4-methoxy-1,3-benzodioxole;6-tert-butyl-4-methyl-1,3-benzodioxole;7-tert-butyl-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 157215467
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 115572033

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole (CID 138384537) is 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole is COc1cc(-c2nccn2-c2cccc3c2CCO3)cc2c1OCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole?
The InChIKey is YDXPJTDTYBPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-22-16-9-12(10-17-18(16)25-11-24-17)19-20-6-7-21(19)14-3-2-4-15-13(14)5-8-23-15/h2-4,6-7,9-10H,5,8,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole?
1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole has a molecular weight of 336.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole is sourced from PubChem (CID 138384537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).