2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone

C14H14N2O2 — CID 114272629

IUPAC2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2COc3ccccc32)c1
InChIInChI=1S/C14H14N2O2/c1-2-16-7-12(15-9-16)14(17)11-8-18-13-6-4-3-5-10(11)13/h3-7,9,11H,2,8H2,1H3
InChIKeyZRLOHUDPZGAXRI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.26
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone

2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone (PubChem CID 114272629) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
PubChem CID114272629
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2COc3ccccc32)c1
InChIInChI=1S/C14H14N2O2/c1-2-16-7-12(15-9-16)14(17)11-8-18-13-6-4-3-5-10(11)13/h3-7,9,11H,2,8H2,1H3
InChIKeyZRLOHUDPZGAXRI-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272621
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
CID 130509710
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130509568
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 129340038
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103945735

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone (CID 114272629) is 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone is CCn1cnc(C(=O)C2COc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone?
The InChIKey is ZRLOHUDPZGAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-16-7-12(15-9-16)14(17)11-8-18-13-6-4-3-5-10(11)13/h3-7,9,11H,2,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone?
2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone is sourced from PubChem (CID 114272629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).