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

C14H16N2OS — CID 14100243

IUPAC2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol
SMILESCCCS/C=C(/c1ccccc1O)n1ccnc1
InChIInChI=1S/C14H16N2OS/c1-2-9-18-10-13(16-8-7-15-11-16)12-5-3-4-6-14(12)17/h3-8,10-11,17H,2,9H2,1H3/b13-10-
InChIKeyBEAWQEFRRBZEQR-RAXLEYEMSA-N
MW260.36 g/mol
LogP3.58
Rot. Bonds5

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

2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol (PubChem CID 14100243) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol
PubChem CID14100243
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol
SMILESCCCS/C=C(/c1ccccc1O)n1ccnc1
InChIInChI=1S/C14H16N2OS/c1-2-9-18-10-13(16-8-7-15-11-16)12-5-3-4-6-14(12)17/h3-8,10-11,17H,2,9H2,1H3/b13-10-
InChIKeyBEAWQEFRRBZEQR-RAXLEYEMSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol?
The IUPAC name of 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol (CID 14100243) is 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol is CCCS/C=C(/c1ccccc1O)n1ccnc1.
What is the InChIKey of 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol?
The InChIKey is BEAWQEFRRBZEQR-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-9-18-10-13(16-8-7-15-11-16)12-5-3-4-6-14(12)17/h3-8,10-11,17H,2,9H2,1H3/b13-10-.
What are the key properties of 2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol?
2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.58, 5 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-propylsulfanylethenyl]phenol is sourced from PubChem (CID 14100243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).