1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine

C18H16Cl3N3O — CID 25134087

IUPAC1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine
SMILESNc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H16Cl3N3O/c19-13-3-1-12(2-4-13)10-25-17(8-24-9-18(22)23-11-24)15-6-5-14(20)7-16(15)21/h1-7,9,11,17H,8,10,22H2
InChIKeyNIKHTZFJWRDBMN-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.38
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine (PubChem CID 25134087) has the molecular formula C18H16Cl3N3O and a molecular weight of 396.71 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine
PubChem CID25134087
Molecular FormulaC18H16Cl3N3O
Molecular Weight396.71 g/mol
Exact Mass395.04
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine
SMILESNc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H16Cl3N3O/c19-13-3-1-12(2-4-13)10-25-17(8-24-9-18(22)23-11-24)15-6-5-14(20)7-16(15)21/h1-7,9,11,17H,8,10,22H2
InChIKeyNIKHTZFJWRDBMN-UHFFFAOYSA-N
XLogP5.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
CID 71456817
4-tert-butyl-1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
CID 71462212
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
4-[[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-1-ium-1-yl]methyl]benzenesulfonamide
CID 54006229
3-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]phenol
CID 53378004
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
CID 162318190
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[(2R)-2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 76963410
CID 175074255
CID 175074255

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine (CID 25134087) is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine is Nc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine?
The InChIKey is NIKHTZFJWRDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O/c19-13-3-1-12(2-4-13)10-25-17(8-24-9-18(22)23-11-24)15-6-5-14(20)7-16(15)21/h1-7,9,11,17H,8,10,22H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine?
1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine has a molecular weight of 396.71 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazol-4-amine is sourced from PubChem (CID 25134087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).