2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C11H12Cl2N2O — CID 45262582

IUPAC2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1cccc2c1CC(C1=NCCN1)O2
InChIInChI=1S/C11H11ClN2O.ClH/c12-8-2-1-3-9-7(8)6-10(15-9)11-13-4-5-14-11;/h1-3,10H,4-6H2,(H,13,14);1H
InChIKeyIYLRVMMAEVDXJC-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.07
Rot. Bonds1

About 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45262582) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45262582
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1cccc2c1CC(C1=NCCN1)O2
InChIInChI=1S/C11H11ClN2O.ClH/c12-8-2-1-3-9-7(8)6-10(15-9)11-13-4-5-14-11;/h1-3,10H,4-6H2,(H,13,14);1H
InChIKeyIYLRVMMAEVDXJC-UHFFFAOYSA-N
XLogP2.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45262582) is 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.Clc1cccc2c1CC(C1=NCCN1)O2.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is IYLRVMMAEVDXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.ClH/c12-8-2-1-3-9-7(8)6-10(15-9)11-13-4-5-14-11;/h1-3,10H,4-6H2,(H,13,14);1H.
What are the key properties of 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45262582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).