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

C13H18BrN3O — CID 105404184

IUPAC5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-9-3-4-10(7-11(9)14)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyOCTXOJKBONIACB-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.08
Rot. Bonds4

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

5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 105404184) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
PubChem CID105404184
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-9-3-4-10(7-11(9)14)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyOCTXOJKBONIACB-UHFFFAOYSA-N
XLogP2.08
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.08
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-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (CID 105404184) is 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1ccc(C)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is OCTXOJKBONIACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-3-4-10(7-11(9)14)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 312.21 g/mol, XLogP of 2.08, 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-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 105404184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).