6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole

C15H13N5S — CID 14990853

IUPAC6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole
SMILESCn1nnc2ccc(C(c3cccs3)n3ccnc3)cc21
InChIInChI=1S/C15H13N5S/c1-19-13-9-11(4-5-12(13)17-18-19)15(14-3-2-8-21-14)20-7-6-16-10-20/h2-10,15H,1H3
InChIKeyVCIHRPITKSDZJM-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.86
Rot. Bonds3

About 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole

6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole (PubChem CID 14990853) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole.

Molecular Properties

Compound Name6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole
PubChem CID14990853
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole
SMILESCn1nnc2ccc(C(c3cccs3)n3ccnc3)cc21
InChIInChI=1S/C15H13N5S/c1-19-13-9-11(4-5-12(13)17-18-19)15(14-3-2-8-21-14)20-7-6-16-10-20/h2-10,15H,1H3
InChIKeyVCIHRPITKSDZJM-UHFFFAOYSA-N
XLogP2.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole?
The IUPAC name of 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole (CID 14990853) is 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole.
What is the SMILES notation for 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole?
The canonical SMILES for 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole is Cn1nnc2ccc(C(c3cccs3)n3ccnc3)cc21.
What is the InChIKey of 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole?
The InChIKey is VCIHRPITKSDZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-19-13-9-11(4-5-12(13)17-18-19)15(14-3-2-8-21-14)20-7-6-16-10-20/h2-10,15H,1H3.
What are the key properties of 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole?
6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole has a molecular weight of 295.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole is sourced from PubChem (CID 14990853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).