N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride

C22H30Cl2N4O — CID 120872637

IUPACN'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(CN(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C22H28N4O.2ClH/c1-25-16-13-24-22(25)18-27-21-9-7-20(8-10-21)17-26(15-12-23)14-11-19-5-3-2-4-6-19;;/h2-10,13,16H,11-12,14-15,17-18,23H2,1H3;2*1H
InChIKeyWKHOWHDZIFZGBM-UHFFFAOYSA-N
MW437.42 g/mol
LogP3.85
Rot. Bonds10

About N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride

N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 120872637) has the molecular formula C22H30Cl2N4O and a molecular weight of 437.42 g/mol. Its IUPAC name is N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID120872637
Molecular FormulaC22H30Cl2N4O
Molecular Weight437.42 g/mol
Exact Mass436.18
IUPAC NameN'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(CN(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C22H28N4O.2ClH/c1-25-16-13-24-22(25)18-27-21-9-7-20(8-10-21)17-26(15-12-23)14-11-19-5-3-2-4-6-19;;/h2-10,13,16H,11-12,14-15,17-18,23H2,1H3;2*1H
InChIKeyWKHOWHDZIFZGBM-UHFFFAOYSA-N
XLogP3.85
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869
N'-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912672
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol
CID 129455433
N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
CID 104859070
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride (CID 120872637) is N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.Cn1ccnc1COc1ccc(CN(CCN)CCc2ccccc2)cc1.
What is the InChIKey of N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is WKHOWHDZIFZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.2ClH/c1-25-16-13-24-22(25)18-27-21-9-7-20(8-10-21)17-26(15-12-23)14-11-19-5-3-2-4-6-19;;/h2-10,13,16H,11-12,14-15,17-18,23H2,1H3;2*1H.
What are the key properties of N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride?
N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 437.42 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 120872637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).