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

C17H21N3S — CID 79500819

IUPAC5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCc1ccc(C2(C)CN=C(N)N2Cc2cccs2)c(C)c1
InChIInChI=1S/C17H21N3S/c1-12-6-7-15(13(2)9-12)17(3)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-9H,10-11H2,1-3H3,(H2,18,19)
InChIKeyNYUOYVBDYPFVLH-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.41
Rot. Bonds3

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

5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79500819) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79500819
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCc1ccc(C2(C)CN=C(N)N2Cc2cccs2)c(C)c1
InChIInChI=1S/C17H21N3S/c1-12-6-7-15(13(2)9-12)17(3)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-9H,10-11H2,1-3H3,(H2,18,19)
InChIKeyNYUOYVBDYPFVLH-UHFFFAOYSA-N
XLogP3.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (CID 79500819) is 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is Cc1ccc(C2(C)CN=C(N)N2Cc2cccs2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is NYUOYVBDYPFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-12-6-7-15(13(2)9-12)17(3)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-9H,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79500819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).