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

C12H19N3S — CID 79497247

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2C(C)C)c(C)s1
InChIInChI=1S/C12H19N3S/c1-7(2)15-11(6-14-12(15)13)10-5-8(3)16-9(10)4/h5,7,11H,6H2,1-4H3,(H2,13,14)
InChIKeyMSJWZWSWEVTFJE-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.44
Rot. Bonds2

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

5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79497247) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79497247
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2C(C)C)c(C)s1
InChIInChI=1S/C12H19N3S/c1-7(2)15-11(6-14-12(15)13)10-5-8(3)16-9(10)4/h5,7,11H,6H2,1-4H3,(H2,13,14)
InChIKeyMSJWZWSWEVTFJE-UHFFFAOYSA-N
XLogP2.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.44
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-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79497247) is 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is Cc1cc(C2CN=C(N)N2C(C)C)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is MSJWZWSWEVTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-7(2)15-11(6-14-12(15)13)10-5-8(3)16-9(10)4/h5,7,11H,6H2,1-4H3,(H2,13,14).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.44, 2 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-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).