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

C8H7ClN2S — CID 20711771

IUPAC5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole
SMILESClc1ccc(Cc2cnc[nH]2)s1
InChIInChI=1S/C8H7ClN2S/c9-8-2-1-7(12-8)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11)
InChIKeyZWOOHAXUGMTPGU-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.72
Rot. Bonds2

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

5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole (PubChem CID 20711771) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole
PubChem CID20711771
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole
SMILESClc1ccc(Cc2cnc[nH]2)s1
InChIInChI=1S/C8H7ClN2S/c9-8-2-1-7(12-8)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11)
InChIKeyZWOOHAXUGMTPGU-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole (CID 20711771) is 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole is Clc1ccc(Cc2cnc[nH]2)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole?
The InChIKey is ZWOOHAXUGMTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c9-8-2-1-7(12-8)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11).
What are the key properties of 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole?
5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole has a molecular weight of 198.68 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 20711771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).