2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride

C18H19ClN2O2 — CID 119521227

IUPAC2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2O1)N1CCNCc2ccccc21
InChIInChI=1S/C18H18N2O2.ClH/c21-18(17-11-13-5-2-4-8-16(13)22-17)20-10-9-19-12-14-6-1-3-7-15(14)20;/h1-8,17,19H,9-12H2;1H
InChIKeyGZTTUWDRYIECFS-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.55
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride

2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride (PubChem CID 119521227) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
PubChem CID119521227
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2O1)N1CCNCc2ccccc21
InChIInChI=1S/C18H18N2O2.ClH/c21-18(17-11-13-5-2-4-8-16(13)22-17)20-10-9-19-12-14-6-1-3-7-15(14)20;/h1-8,17,19H,9-12H2;1H
InChIKeyGZTTUWDRYIECFS-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
1,4-dioxan-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119260475
cycloheptyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521255
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
2-cyclopropyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 81478559
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
2,3-dihydro-1-benzofuran-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 51229050
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 42890375
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
1H-pyrazol-4-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 63100676

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride (CID 119521227) is 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride is Cl.O=C(C1Cc2ccccc2O1)N1CCNCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride?
The InChIKey is GZTTUWDRYIECFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c21-18(17-11-13-5-2-4-8-16(13)22-17)20-10-9-19-12-14-6-1-3-7-15(14)20;/h1-8,17,19H,9-12H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride?
2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119521227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).