5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine

C16H20BrN3 — CID 66481660

IUPAC5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
SMILESCc1cc(-c2nc(C3CCCC3)n(C)c2N)ccc1Br
InChIInChI=1S/C16H20BrN3/c1-10-9-12(7-8-13(10)17)14-15(18)20(2)16(19-14)11-5-3-4-6-11/h7-9,11H,3-6,18H2,1-2H3
InChIKeyKGBZDWVERCFLLJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.40
Rot. Bonds2

About 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine

5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine (PubChem CID 66481660) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
PubChem CID66481660
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
SMILESCc1cc(-c2nc(C3CCCC3)n(C)c2N)ccc1Br
InChIInChI=1S/C16H20BrN3/c1-10-9-12(7-8-13(10)17)14-15(18)20(2)16(19-14)11-5-3-4-6-11/h7-9,11H,3-6,18H2,1-2H3
InChIKeyKGBZDWVERCFLLJ-UHFFFAOYSA-N
XLogP4.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine (CID 66481660) is 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine is Cc1cc(-c2nc(C3CCCC3)n(C)c2N)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The InChIKey is KGBZDWVERCFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-9-12(7-8-13(10)17)14-15(18)20(2)16(19-14)11-5-3-4-6-11/h7-9,11H,3-6,18H2,1-2H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-2-cyclopentyl-3-methylimidazol-4-amine is sourced from PubChem (CID 66481660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).