5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole

C10H12N2S — CID 10797836

IUPAC5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1cc(Cc2cnc[nH]2)c(C)s1
InChIInChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyGDSOYSZXNMRHKH-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.68
Rot. Bonds2

About 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole

5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole (PubChem CID 10797836) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole
PubChem CID10797836
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1cc(Cc2cnc[nH]2)c(C)s1
InChIInChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyGDSOYSZXNMRHKH-UHFFFAOYSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole (CID 10797836) is 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole is Cc1cc(Cc2cnc[nH]2)c(C)s1.
What is the InChIKey of 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole?
The InChIKey is GDSOYSZXNMRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12).
What are the key properties of 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole?
5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole has a molecular weight of 192.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylthiophen-3-yl)methyl]-1H-imidazole is sourced from PubChem (CID 10797836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).