N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

C19H22Cl3N3O — CID 45260681

IUPACN-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
SMILESCOc1ccc(Cl)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl
InChIInChI=1S/C19H20ClN3O.2ClH/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2;;/h3-11H,12-13H2,1-2H3,(H,21,22);2*1H
InChIKeyWPOKIDVVNJNHKG-UHFFFAOYSA-N
MW414.76 g/mol
LogP5.21
Rot. Bonds6

About N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride (PubChem CID 45260681) has the molecular formula C19H22Cl3N3O and a molecular weight of 414.76 g/mol. Its IUPAC name is N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
PubChem CID45260681
Molecular FormulaC19H22Cl3N3O
Molecular Weight414.76 g/mol
Exact Mass413.08
IUPAC NameN-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
SMILESCOc1ccc(Cl)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl
InChIInChI=1S/C19H20ClN3O.2ClH/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2;;/h3-11H,12-13H2,1-2H3,(H,21,22);2*1H
InChIKeyWPOKIDVVNJNHKG-UHFFFAOYSA-N
XLogP5.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
(2S)-N-[(1S)-1-[5-(5-chloro-2-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162653755
4-Chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol
CID 1096453
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
3-[(2,6-dichlorophenyl)methyl]-8-(2-methoxyphenyl)-7H-purin-6-imine
CID 155229643
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
Croconazole Hydrochloride
CID 147519
5-(4-Chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1H-imidazol-2-amine
CID 4025075
N-(3-chlorobenzyl)-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 5180823
2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-phenyl}-5-methyl-1H-imidazole
CID 44396126
N-[[2-(5-bromo-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
CID 45260712

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The IUPAC name of N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride (CID 45260681) is N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The canonical SMILES for N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride is COc1ccc(Cl)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl.
What is the InChIKey of N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The InChIKey is WPOKIDVVNJNHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.2ClH/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2;;/h3-11H,12-13H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride has a molecular weight of 414.76 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride is sourced from PubChem (CID 45260681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).