2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone

C14H13ClN2O2 — CID 107977318

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2cc(Cl)cc3c2OCC3)c1
InChIInChI=1S/C14H13ClN2O2/c1-17-7-12(16-8-17)13(18)6-10-5-11(15)4-9-2-3-19-14(9)10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMHMGNYRUGPVHRI-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.43
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 107977318) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID107977318
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2cc(Cl)cc3c2OCC3)c1
InChIInChI=1S/C14H13ClN2O2/c1-17-7-12(16-8-17)13(18)6-10-5-11(15)4-9-2-3-19-14(9)10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMHMGNYRUGPVHRI-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116585175
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449
1-(3-bromo-5-methylphenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796534
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyltriazol-4-yl)ethanone
CID 112735769
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)decan-2-one
CID 115796413
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554886
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl-ethylamino]acetic acid
CID 113403387
3-amino-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylhexan-2-one
CID 116557022

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone (CID 107977318) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone is Cn1cnc(C(=O)Cc2cc(Cl)cc3c2OCC3)c1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is MHMGNYRUGPVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17-7-12(16-8-17)13(18)6-10-5-11(15)4-9-2-3-19-14(9)10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 276.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 107977318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).