5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

C13H18BrN3S — CID 102845819

IUPAC5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrN3S/c1-8-10(14)6-12(18-8)11-7-16-13(15)17(11)9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H2,15,16)
InChIKeyLNOUWSWUXQXSJU-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.43
Rot. Bonds2

About 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (PubChem CID 102845819) has the molecular formula C13H18BrN3S and a molecular weight of 328.28 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
PubChem CID102845819
Molecular FormulaC13H18BrN3S
Molecular Weight328.28 g/mol
Exact Mass327.04
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrN3S/c1-8-10(14)6-12(18-8)11-7-16-13(15)17(11)9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H2,15,16)
InChIKeyLNOUWSWUXQXSJU-UHFFFAOYSA-N
XLogP3.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (CID 102845819) is 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is Cc1sc(C2CN=C(N)N2C2CCCC2)cc1Br.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LNOUWSWUXQXSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3S/c1-8-10(14)6-12(18-8)11-7-16-13(15)17(11)9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H2,15,16).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine has a molecular weight of 328.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).