5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

C10H15N3S — CID 79521396

IUPAC5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(C)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C10H15N3S/c1-10(2)7-12-9(11)13(10)6-8-4-3-5-14-8/h3-5H,6-7H2,1-2H3,(H2,11,12)
InChIKeyWDXGASFJMGZZGG-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.66
Rot. Bonds2

About 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79521396) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79521396
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(C)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C10H15N3S/c1-10(2)7-12-9(11)13(10)6-8-4-3-5-14-8/h3-5H,6-7H2,1-2H3,(H2,11,12)
InChIKeyWDXGASFJMGZZGG-UHFFFAOYSA-N
XLogP1.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (CID 79521396) is 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is CC1(C)CN=C(N)N1Cc1cccs1.
What is the InChIKey of 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is WDXGASFJMGZZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2)7-12-9(11)13(10)6-8-4-3-5-14-8/h3-5H,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79521396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).