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

C20H15ClN2S — CID 71061310

IUPAC5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2[nH]c(Cc3cccs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2S/c21-16-10-8-15(9-11-16)20-19(14-5-2-1-3-6-14)22-18(23-20)13-17-7-4-12-24-17/h1-12H,13H2,(H,22,23)
InChIKeySOSGRCASNUCYBN-UHFFFAOYSA-N
MW350.87 g/mol
LogP6.05
Rot. Bonds4

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

5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole (PubChem CID 71061310) has the molecular formula C20H15ClN2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole
PubChem CID71061310
Molecular FormulaC20H15ClN2S
Molecular Weight350.87 g/mol
Exact Mass350.06
IUPAC Name5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2[nH]c(Cc3cccs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2S/c21-16-10-8-15(9-11-16)20-19(14-5-2-1-3-6-14)22-18(23-20)13-17-7-4-12-24-17/h1-12H,13H2,(H,22,23)
InChIKeySOSGRCASNUCYBN-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole (CID 71061310) is 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole is Clc1ccc(-c2[nH]c(Cc3cccs3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The InChIKey is SOSGRCASNUCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2S/c21-16-10-8-15(9-11-16)20-19(14-5-2-1-3-6-14)22-18(23-20)13-17-7-4-12-24-17/h1-12H,13H2,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole?
5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole has a molecular weight of 350.87 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 71061310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).