5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

C12H15BrClN3O — CID 83241854

IUPAC5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClN3O/c1-18-5-4-17-11(7-16-12(17)15)8-2-3-10(14)9(13)6-8/h2-3,6,11H,4-5,7H2,1H3,(H2,15,16)
InChIKeyDQDSLNVMJGPZQY-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.42
Rot. Bonds4

About 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 83241854) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
PubChem CID83241854
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClN3O/c1-18-5-4-17-11(7-16-12(17)15)8-2-3-10(14)9(13)6-8/h2-3,6,11H,4-5,7H2,1H3,(H2,15,16)
InChIKeyDQDSLNVMJGPZQY-UHFFFAOYSA-N
XLogP2.42
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (CID 83241854) is 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1ccc(Cl)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DQDSLNVMJGPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-18-5-4-17-11(7-16-12(17)15)8-2-3-10(14)9(13)6-8/h2-3,6,11H,4-5,7H2,1H3,(H2,15,16).
What are the key properties of 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 332.63 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-chlorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 83241854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).