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

C19H13ClN2S — CID 3734578

IUPAC2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)19-21-17(13-5-2-1-3-6-13)18(22-19)16-7-4-12-23-16/h1-12H,(H,21,22)
InChIKeyPHHRDZJQBABWOQ-UHFFFAOYSA-N
MW336.85 g/mol
LogP6.13
Rot. Bonds3

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

2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (PubChem CID 3734578) has the molecular formula C19H13ClN2S and a molecular weight of 336.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
PubChem CID3734578
Molecular FormulaC19H13ClN2S
Molecular Weight336.85 g/mol
Exact Mass336.05
IUPAC Name2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)19-21-17(13-5-2-1-3-6-13)18(22-19)16-7-4-12-23-16/h1-12H,(H,21,22)
InChIKeyPHHRDZJQBABWOQ-UHFFFAOYSA-N
XLogP6.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.85
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The IUPAC name of 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (CID 3734578) is 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is Clc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The InChIKey is PHHRDZJQBABWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)19-21-17(13-5-2-1-3-6-13)18(22-19)16-7-4-12-23-16/h1-12H,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole has a molecular weight of 336.85 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 3734578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).