4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride

C17H16Cl3N3O — CID 67113669

IUPAC4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
SMILESCOc1ccccc1Cn1cc(-c2ccc(Cl)cc2Cl)nc1N.Cl
InChIInChI=1S/C17H15Cl2N3O.ClH/c1-23-16-5-3-2-4-11(16)9-22-10-15(21-17(22)20)13-7-6-12(18)8-14(13)19;/h2-8,10H,9H2,1H3,(H2,20,21);1H
InChIKeyDMRXQMGKXKHULJ-UHFFFAOYSA-N
MW384.69 g/mol
LogP4.92
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride

4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride (PubChem CID 67113669) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
PubChem CID67113669
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
SMILESCOc1ccccc1Cn1cc(-c2ccc(Cl)cc2Cl)nc1N.Cl
InChIInChI=1S/C17H15Cl2N3O.ClH/c1-23-16-5-3-2-4-11(16)9-22-10-15(21-17(22)20)13-7-6-12(18)8-14(13)19;/h2-8,10H,9H2,1H3,(H2,20,21);1H
InChIKeyDMRXQMGKXKHULJ-UHFFFAOYSA-N
XLogP4.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 67113911
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one
CID 2904759
1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine
CID 67114111
4-N-(2,4-dichlorophenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872879

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride (CID 67113669) is 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride is COc1ccccc1Cn1cc(-c2ccc(Cl)cc2Cl)nc1N.Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride?
The InChIKey is DMRXQMGKXKHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O.ClH/c1-23-16-5-3-2-4-11(16)9-22-10-15(21-17(22)20)13-7-6-12(18)8-14(13)19;/h2-8,10H,9H2,1H3,(H2,20,21);1H.
What are the key properties of 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride?
4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride has a molecular weight of 384.69 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).