5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole

C10H12N2S — CID 10487999

IUPAC5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
SMILESCc1ccsc1C(C)c1cnc[nH]1
InChIInChI=1S/C10H12N2S/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9/h3-6,8H,1-2H3,(H,11,12)
InChIKeyAOISAOGWBMJBPG-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.93
Rot. Bonds2

About 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole

5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole (PubChem CID 10487999) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
PubChem CID10487999
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
SMILESCc1ccsc1C(C)c1cnc[nH]1
InChIInChI=1S/C10H12N2S/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9/h3-6,8H,1-2H3,(H,11,12)
InChIKeyAOISAOGWBMJBPG-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The IUPAC name of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole (CID 10487999) is 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole is Cc1ccsc1C(C)c1cnc[nH]1.
What is the InChIKey of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The InChIKey is AOISAOGWBMJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9/h3-6,8H,1-2H3,(H,11,12).
What are the key properties of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole has a molecular weight of 192.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 10487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).