5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H21N3S — CID 79496782

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2CC(C)C)c(C)s1
InChIInChI=1S/C13H21N3S/c1-8(2)7-16-12(6-15-13(16)14)11-5-9(3)17-10(11)4/h5,8,12H,6-7H2,1-4H3,(H2,14,15)
InChIKeySTMQWSNKQQXVPZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.69
Rot. Bonds3

About 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496782) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79496782
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2CC(C)C)c(C)s1
InChIInChI=1S/C13H21N3S/c1-8(2)7-16-12(6-15-13(16)14)11-5-9(3)17-10(11)4/h5,8,12H,6-7H2,1-4H3,(H2,14,15)
InChIKeySTMQWSNKQQXVPZ-UHFFFAOYSA-N
XLogP2.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79496782) is 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is Cc1cc(C2CN=C(N)N2CC(C)C)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is STMQWSNKQQXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8(2)7-16-12(6-15-13(16)14)11-5-9(3)17-10(11)4/h5,8,12H,6-7H2,1-4H3,(H2,14,15).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).