1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole

C14H16N2O — CID 141184733

IUPAC1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole
SMILESCCc1cncn1C1COCc2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-12-7-15-10-16(12)14-9-17-8-11-5-3-4-6-13(11)14/h3-7,10,14H,2,8-9H2,1H3
InChIKeyXAUBLCWRXFLIKS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.57
Rot. Bonds2

About 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole

1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole (PubChem CID 141184733) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole
PubChem CID141184733
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole
SMILESCCc1cncn1C1COCc2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-12-7-15-10-16(12)14-9-17-8-11-5-3-4-6-13(11)14/h3-7,10,14H,2,8-9H2,1H3
InChIKeyXAUBLCWRXFLIKS-UHFFFAOYSA-N
XLogP2.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole (CID 141184733) is 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole is CCc1cncn1C1COCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole?
The InChIKey is XAUBLCWRXFLIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-12-7-15-10-16(12)14-9-17-8-11-5-3-4-6-13(11)14/h3-7,10,14H,2,8-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole?
1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole has a molecular weight of 228.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-4-yl)-5-ethylimidazole is sourced from PubChem (CID 141184733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).