2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole

C16H13ClN2S — CID 1477503

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole
SMILESClc1cccc(CSc2nccn2-c2ccccc2)c1
InChIInChI=1S/C16H13ClN2S/c17-14-6-4-5-13(11-14)12-20-16-18-9-10-19(16)15-7-2-1-3-8-15/h1-11H,12H2
InChIKeyKHZVFNXABYGLAB-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.82
Rot. Bonds4

About 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole

2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole (PubChem CID 1477503) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole
PubChem CID1477503
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole
SMILESClc1cccc(CSc2nccn2-c2ccccc2)c1
InChIInChI=1S/C16H13ClN2S/c17-14-6-4-5-13(11-14)12-20-16-18-9-10-19(16)15-7-2-1-3-8-15/h1-11H,12H2
InChIKeyKHZVFNXABYGLAB-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole (CID 1477503) is 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole is Clc1cccc(CSc2nccn2-c2ccccc2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole?
The InChIKey is KHZVFNXABYGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-14-6-4-5-13(11-14)12-20-16-18-9-10-19(16)15-7-2-1-3-8-15/h1-11H,12H2.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole?
2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole has a molecular weight of 300.81 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-1-phenylimidazole is sourced from PubChem (CID 1477503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).