[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol

C16H14N2S — CID 116879175

IUPAC[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
SMILESSCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C16H14N2S/c19-11-16-17-10-15(18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H,17,18)
InChIKeyFZBLVUFNYOKZHH-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.17
Rot. Bonds3

About [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol

[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol (PubChem CID 116879175) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol.

Molecular Properties

Compound Name[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
PubChem CID116879175
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
SMILESSCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C16H14N2S/c19-11-16-17-10-15(18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H,17,18)
InChIKeyFZBLVUFNYOKZHH-UHFFFAOYSA-N
XLogP4.17
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol?
The IUPAC name of [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol (CID 116879175) is [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol.
What is the SMILES notation for [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol?
The canonical SMILES for [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol is SCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol?
The InChIKey is FZBLVUFNYOKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c19-11-16-17-10-15(18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H,17,18).
What are the key properties of [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol?
[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol has a molecular weight of 266.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol is sourced from PubChem (CID 116879175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).