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

C9H10N2S — CID 10726009

IUPAC5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1sccc1Cc1cnc[nH]1
InChIInChI=1S/C9H10N2S/c1-7-8(2-3-12-7)4-9-5-10-6-11-9/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyYREPSLLZPDCHGU-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.37
Rot. Bonds2

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

5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole (PubChem CID 10726009) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole
PubChem CID10726009
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1sccc1Cc1cnc[nH]1
InChIInChI=1S/C9H10N2S/c1-7-8(2-3-12-7)4-9-5-10-6-11-9/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyYREPSLLZPDCHGU-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
CID 46222048
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
(E)-but-2-enedioic acid;5-[(2-ethylthiophen-3-yl)methyl]-1H-imidazole
CID 9883061
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
4-[1-(3-Bromo-thiophen-2-yl)-ethyl]-1H-imidazole
CID 10706270
(E)-but-2-enedioic acid;5-[(2,4-dimethylthiophen-3-yl)methyl]-1H-imidazole
CID 18923845
4-[(2-Methylthien-3-yl)methyl]-1H-imidazole Fumarate
CID 18923854

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole (CID 10726009) is 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole is Cc1sccc1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole?
The InChIKey is YREPSLLZPDCHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-8(2-3-12-7)4-9-5-10-6-11-9/h2-3,5-6H,4H2,1H3,(H,10,11).
What are the key properties of 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole?
5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole has a molecular weight of 178.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylthiophen-3-yl)methyl]-1H-imidazole is sourced from PubChem (CID 10726009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).