2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride

C20H21ClN2O3 — CID 12761776

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride
SMILESCOc1cccc(Cn2ccnc2CC2COc3ccccc3O2)c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-23-16-6-4-5-15(11-16)13-22-10-9-21-20(22)12-17-14-24-18-7-2-3-8-19(18)25-17;/h2-11,17H,12-14H2,1H3;1H
InChIKeyQQKRTRAIIKREGC-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.74
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride (PubChem CID 12761776) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride
PubChem CID12761776
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride
SMILESCOc1cccc(Cn2ccnc2CC2COc3ccccc3O2)c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-23-16-6-4-5-15(11-16)13-22-10-9-21-20(22)12-17-14-24-18-7-2-3-8-19(18)25-17;/h2-11,17H,12-14H2,1H3;1H
InChIKeyQQKRTRAIIKREGC-UHFFFAOYSA-N
XLogP3.74
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
2-(2,3-Dimethoxy-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 9862539
3-methoxy-4-[(2S)-1-[3-(2-methylimidazol-1-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471365
3-Methoxy-4-[2-[3-(2-methylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
CID 138471402
(1-Benzyl-1H-imidazol-2-yl)(2,3-dimethoxyphenyl)methanol
CID 626186
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
N'-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-N-(3-imidazol-1-yl-[1,2,4]thiadiazol-5-yl)-N-methyl-propane-1,3-diamine
CID 11538267
1-(beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl)-1H-imidazole hydrochloride
CID 11957693
1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole hydrochloride
CID 12761772
1-[2-(1-Imidazol-1-ylethenyl)-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20471573

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride (CID 12761776) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride is COc1cccc(Cn2ccnc2CC2COc3ccccc3O2)c1.Cl.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride?
The InChIKey is QQKRTRAIIKREGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c1-23-16-6-4-5-15(11-16)13-22-10-9-21-20(22)12-17-14-24-18-7-2-3-8-19(18)25-17;/h2-11,17H,12-14H2,1H3;1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 12761776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).