5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine

C13H16BrN3 — CID 55047681

IUPAC5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cccc(Br)c2)c(N)n1C(C)C
InChIInChI=1S/C13H16BrN3/c1-8(2)17-9(3)16-12(13(17)15)10-5-4-6-11(14)7-10/h4-8H,15H2,1-3H3
InChIKeyZFMJKNVQZREHDM-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.78
Rot. Bonds2

About 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine

5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine (PubChem CID 55047681) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
PubChem CID55047681
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cccc(Br)c2)c(N)n1C(C)C
InChIInChI=1S/C13H16BrN3/c1-8(2)17-9(3)16-12(13(17)15)10-5-4-6-11(14)7-10/h4-8H,15H2,1-3H3
InChIKeyZFMJKNVQZREHDM-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine (CID 55047681) is 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine is Cc1nc(-c2cccc(Br)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is ZFMJKNVQZREHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8(2)17-9(3)16-12(13(17)15)10-5-4-6-11(14)7-10/h4-8H,15H2,1-3H3.
What are the key properties of 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 294.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55047681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).