2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol

C17H14N2OS — CID 14100279

IUPAC2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol
SMILESOc1ccccc1/C(=C/Sc1ccccc1)n1ccnc1
InChIInChI=1S/C17H14N2OS/c20-17-9-5-4-8-15(17)16(19-11-10-18-13-19)12-21-14-6-2-1-3-7-14/h1-13,20H/b16-12-
InChIKeySTIOGXMNCHPSBO-VBKFSLOCSA-N
MW294.38 g/mol
LogP4.23
Rot. Bonds4

About 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol

2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol (PubChem CID 14100279) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol
PubChem CID14100279
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol
SMILESOc1ccccc1/C(=C/Sc1ccccc1)n1ccnc1
InChIInChI=1S/C17H14N2OS/c20-17-9-5-4-8-15(17)16(19-11-10-18-13-19)12-21-14-6-2-1-3-7-14/h1-13,20H/b16-12-
InChIKeySTIOGXMNCHPSBO-VBKFSLOCSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol?
The IUPAC name of 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol (CID 14100279) is 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol is Oc1ccccc1/C(=C/Sc1ccccc1)n1ccnc1.
What is the InChIKey of 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol?
The InChIKey is STIOGXMNCHPSBO-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17-9-5-4-8-15(17)16(19-11-10-18-13-19)12-21-14-6-2-1-3-7-14/h1-13,20H/b16-12-.
What are the key properties of 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol?
2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol has a molecular weight of 294.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol is sourced from PubChem (CID 14100279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).