5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

C9H12BrN3S — CID 79509949

IUPAC5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc(Br)s1
InChIInChI=1S/C9H12BrN3S/c1-2-13-6(5-12-9(13)11)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3,(H2,11,12)
InChIKeyXNBBPTDDLDRDRG-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.20
Rot. Bonds2

About 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509949) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
PubChem CID79509949
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc(Br)s1
InChIInChI=1S/C9H12BrN3S/c1-2-13-6(5-12-9(13)11)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3,(H2,11,12)
InChIKeyXNBBPTDDLDRDRG-UHFFFAOYSA-N
XLogP2.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (CID 79509949) is 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XNBBPTDDLDRDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-2-13-6(5-12-9(13)11)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3,(H2,11,12).
What are the key properties of 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 274.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).