2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol

C10H11ClN2OS — CID 13052054

IUPAC2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCC2=NCCN2)cc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-5-7(1-2-9(8)14)15-6-10-12-3-4-13-10/h1-2,5,14H,3-4,6H2,(H,12,13)
InChIKeyBUFHNWCLIYTVBO-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.14
Rot. Bonds3

About 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol

2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol (PubChem CID 13052054) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol
PubChem CID13052054
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCC2=NCCN2)cc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-5-7(1-2-9(8)14)15-6-10-12-3-4-13-10/h1-2,5,14H,3-4,6H2,(H,12,13)
InChIKeyBUFHNWCLIYTVBO-UHFFFAOYSA-N
XLogP2.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol?
The IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol (CID 13052054) is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol is Oc1ccc(SCC2=NCCN2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol?
The InChIKey is BUFHNWCLIYTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-8-5-7(1-2-9(8)14)15-6-10-12-3-4-13-10/h1-2,5,14H,3-4,6H2,(H,12,13).
What are the key properties of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol?
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol has a molecular weight of 242.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 13052054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).