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

C18H16Cl2FN3 — CID 68710194

IUPAC[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccccc1F
InChIInChI=1S/C18H16Cl2FN3/c19-13-5-6-14(15(20)9-13)18-17(10-22)24(11-23-18)8-7-12-3-1-2-4-16(12)21/h1-6,9,11H,7-8,10,22H2
InChIKeyCUNWTKHQHIFXNK-UHFFFAOYSA-N
MW364.25 g/mol
LogP4.70
Rot. Bonds5

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

[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine (PubChem CID 68710194) has the molecular formula C18H16Cl2FN3 and a molecular weight of 364.25 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine
PubChem CID68710194
Molecular FormulaC18H16Cl2FN3
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccccc1F
InChIInChI=1S/C18H16Cl2FN3/c19-13-5-6-14(15(20)9-13)18-17(10-22)24(11-23-18)8-7-12-3-1-2-4-16(12)21/h1-6,9,11H,7-8,10,22H2
InChIKeyCUNWTKHQHIFXNK-UHFFFAOYSA-N
XLogP4.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.70
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-fluorophenyl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine (CID 68710194) is [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccccc1F.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is CUNWTKHQHIFXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3/c19-13-5-6-14(15(20)9-13)18-17(10-22)24(11-23-18)8-7-12-3-1-2-4-16(12)21/h1-6,9,11H,7-8,10,22H2.
What are the key properties of [5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 364.25 g/mol, XLogP of 4.70, 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-fluorophenyl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 68710194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).