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

C12H18BrN3S — CID 102845787

IUPAC5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cc(Br)c(C)s1
InChIInChI=1S/C12H18BrN3S/c1-4-7(2)16-10(6-15-12(16)14)11-5-9(13)8(3)17-11/h5,7,10H,4,6H2,1-3H3,(H2,14,15)
InChIKeyKKAHEMUFIMBSTB-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.29
Rot. Bonds3

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

5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 102845787) has the molecular formula C12H18BrN3S and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID102845787
Molecular FormulaC12H18BrN3S
Molecular Weight316.27 g/mol
Exact Mass315.04
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cc(Br)c(C)s1
InChIInChI=1S/C12H18BrN3S/c1-4-7(2)16-10(6-15-12(16)14)11-5-9(13)8(3)17-11/h5,7,10H,4,6H2,1-3H3,(H2,14,15)
InChIKeyKKAHEMUFIMBSTB-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514595
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 102845758
1-butan-2-yl-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514744
5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 79501536
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 102845779
1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 102845826
1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79514209
3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol
CID 79505769
1-butan-2-yl-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514820
1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114867777
1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514440

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine (CID 102845787) is 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1cc(Br)c(C)s1.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is KKAHEMUFIMBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S/c1-4-7(2)16-10(6-15-12(16)14)11-5-9(13)8(3)17-11/h5,7,10H,4,6H2,1-3H3,(H2,14,15).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 316.27 g/mol, XLogP of 3.29, 3 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-butan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).