5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole

C14H11ClN2S — CID 71061784

IUPAC5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2cnc(Cc3cccs3)[nH]2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-5-3-10(4-6-11)13-9-16-14(17-13)8-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17)
InChIKeyXCGOXNJLHAZOTP-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.38
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole

5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole (PubChem CID 71061784) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
PubChem CID71061784
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2cnc(Cc3cccs3)[nH]2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-5-3-10(4-6-11)13-9-16-14(17-13)8-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17)
InChIKeyXCGOXNJLHAZOTP-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole (CID 71061784) is 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole is Clc1ccc(-c2cnc(Cc3cccs3)[nH]2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole?
The InChIKey is XCGOXNJLHAZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-5-3-10(4-6-11)13-9-16-14(17-13)8-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17).
What are the key properties of 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole?
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole has a molecular weight of 274.78 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 71061784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).