2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol

C12H12N2OS — CID 15169113

IUPAC2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol
SMILESCS/C=C(\c1ccccc1O)n1ccnc1
InChIInChI=1S/C12H12N2OS/c1-16-8-11(14-7-6-13-9-14)10-4-2-3-5-12(10)15/h2-9,15H,1H3/b11-8+
InChIKeyMBUZHIHQQRWZON-DHZHZOJOSA-N
MW232.31 g/mol
LogP2.80
Rot. Bonds3

About 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol

2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol (PubChem CID 15169113) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol
PubChem CID15169113
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol
SMILESCS/C=C(\c1ccccc1O)n1ccnc1
InChIInChI=1S/C12H12N2OS/c1-16-8-11(14-7-6-13-9-14)10-4-2-3-5-12(10)15/h2-9,15H,1H3/b11-8+
InChIKeyMBUZHIHQQRWZON-DHZHZOJOSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol?
The IUPAC name of 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol (CID 15169113) is 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol.
What is the SMILES notation for 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol?
The canonical SMILES for 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol is CS/C=C(\c1ccccc1O)n1ccnc1.
What is the InChIKey of 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol?
The InChIKey is MBUZHIHQQRWZON-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-16-8-11(14-7-6-13-9-14)10-4-2-3-5-12(10)15/h2-9,15H,1H3/b11-8+.
What are the key properties of 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol?
2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol has a molecular weight of 232.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol is sourced from PubChem (CID 15169113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).