[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine

C18H15Cl4N3 — CID 59340344

IUPAC[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl4N3/c19-12-2-1-11(15(21)7-12)5-6-25-10-24-18(17(25)9-23)14-4-3-13(20)8-16(14)22/h1-4,7-8,10H,5-6,9,23H2
InChIKeyAHZADXCIHUMILH-UHFFFAOYSA-N
MW415.15 g/mol
LogP5.87
Rot. Bonds5

About [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine

[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine (PubChem CID 59340344) has the molecular formula C18H15Cl4N3 and a molecular weight of 415.15 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine
PubChem CID59340344
Molecular FormulaC18H15Cl4N3
Molecular Weight415.15 g/mol
Exact Mass413.00
IUPAC Name[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl4N3/c19-12-2-1-11(15(21)7-12)5-6-25-10-24-18(17(25)9-23)14-4-3-13(20)8-16(14)22/h1-4,7-8,10H,5-6,9,23H2
InChIKeyAHZADXCIHUMILH-UHFFFAOYSA-N
XLogP5.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.15
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine (CID 59340344) is [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is AHZADXCIHUMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl4N3/c19-12-2-1-11(15(21)7-12)5-6-25-10-24-18(17(25)9-23)14-4-3-13(20)8-16(14)22/h1-4,7-8,10H,5-6,9,23H2.
What are the key properties of [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 415.15 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 59340344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).