2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride

C11H15ClN2O2 — CID 2946578

IUPAC2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1cc(OC)cc(C2=NCCN2)c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;/h5-7H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyKMGLDIALNRTVJC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.48
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2946578) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2946578
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1cc(OC)cc(C2=NCCN2)c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;/h5-7H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyKMGLDIALNRTVJC-UHFFFAOYSA-N
XLogP1.48
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 2946578) is 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride is COc1cc(OC)cc(C2=NCCN2)c1.Cl.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is KMGLDIALNRTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;/h5-7H,3-4H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2946578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).