1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine

C14H17Br2N3O — CID 106583526

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-4-5-17-14-18-9(2)8-19(14)12-7-13(20-3)11(16)6-10(12)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyFYTBUQJVXIPYTA-UHFFFAOYSA-N
MW403.12 g/mol
LogP4.54
Rot. Bonds5

About 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine

1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106583526) has the molecular formula C14H17Br2N3O and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106583526
Molecular FormulaC14H17Br2N3O
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-4-5-17-14-18-9(2)8-19(14)12-7-13(20-3)11(16)6-10(12)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyFYTBUQJVXIPYTA-UHFFFAOYSA-N
XLogP4.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine (CID 106583526) is 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cc(OC)c(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is FYTBUQJVXIPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O/c1-4-5-17-14-18-9(2)8-19(14)12-7-13(20-3)11(16)6-10(12)15/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine?
1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 403.12 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106583526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).