1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole

C11H11N5S — CID 103931151

IUPAC1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
SMILESCn1cc(Cn2ccnc2-c2cccs2)nn1
InChIInChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyAGDDFVIAQYKHAG-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole

1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole (PubChem CID 103931151) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
PubChem CID103931151
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
SMILESCn1cc(Cn2ccnc2-c2cccs2)nn1
InChIInChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyAGDDFVIAQYKHAG-UHFFFAOYSA-N
XLogP1.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
1-methyl-4-(thiophen-3-yl)-1H-imidazole
CID 6539906
3-(Pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
CID 122183046
3-Thiophen-2-ylimidazo[1,5-a]pyridine
CID 1266459
3-Methyl-6-(2-thienyl)imidazo[2,1-b][1,3]thiazole
CID 15062067
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
5,7-Dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]imidazo[1,2-a]pyrimidine
CID 53251307
2-{2-[1-(2-Fluoro-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 53251472
US9096589, 5,7-Dimethyl-2-[2-(1-propyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-imidazo[1,2-a]pyrimidine
CID 53251473
US9096589, 2-[2-(1-Isopropyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 53251622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole (CID 103931151) is 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole is Cn1cc(Cn2ccnc2-c2cccs2)nn1.
What is the InChIKey of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The InChIKey is AGDDFVIAQYKHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole has a molecular weight of 245.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 103931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).