5-(4-bromophenyl)-1-butylimidazol-2-amine

C13H16BrN3 — CID 53316781

IUPAC5-(4-bromophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1c(-c2ccc(Br)cc2)cnc1N
InChIInChI=1S/C13H16BrN3/c1-2-3-8-17-12(9-16-13(17)15)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyHABKTBJUZGBKDS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.69
Rot. Bonds4

About 5-(4-bromophenyl)-1-butylimidazol-2-amine

5-(4-bromophenyl)-1-butylimidazol-2-amine (PubChem CID 53316781) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-butylimidazol-2-amine
PubChem CID53316781
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-(4-bromophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1c(-c2ccc(Br)cc2)cnc1N
InChIInChI=1S/C13H16BrN3/c1-2-3-8-17-12(9-16-13(17)15)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyHABKTBJUZGBKDS-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-butylimidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-1-butylimidazol-2-amine (CID 53316781) is 5-(4-bromophenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-1-butylimidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-1-butylimidazol-2-amine is CCCCn1c(-c2ccc(Br)cc2)cnc1N.
What is the InChIKey of 5-(4-bromophenyl)-1-butylimidazol-2-amine?
The InChIKey is HABKTBJUZGBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-2-3-8-17-12(9-16-13(17)15)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 5-(4-bromophenyl)-1-butylimidazol-2-amine?
5-(4-bromophenyl)-1-butylimidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-butylimidazol-2-amine is sourced from PubChem (CID 53316781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).