10-(3-imidazol-1-ylpropyl)phenothiazine

C18H17N3S — CID 131954203

IUPAC10-(3-imidazol-1-ylpropyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCCn1ccnc1
InChIInChI=1S/C18H17N3S/c1-3-8-17-15(6-1)21(12-5-11-20-13-10-19-14-20)16-7-2-4-9-18(16)22-17/h1-4,6-10,13-14H,5,11-12H2
InChIKeyGOHBDWLLEZQNKY-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.58
Rot. Bonds4

About 10-(3-imidazol-1-ylpropyl)phenothiazine

10-(3-imidazol-1-ylpropyl)phenothiazine (PubChem CID 131954203) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 10-(3-imidazol-1-ylpropyl)phenothiazine.

Molecular Properties

Compound Name10-(3-imidazol-1-ylpropyl)phenothiazine
PubChem CID131954203
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name10-(3-imidazol-1-ylpropyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCCn1ccnc1
InChIInChI=1S/C18H17N3S/c1-3-8-17-15(6-1)21(12-5-11-20-13-10-19-14-20)16-7-2-4-9-18(16)22-17/h1-4,6-10,13-14H,5,11-12H2
InChIKeyGOHBDWLLEZQNKY-UHFFFAOYSA-N
XLogP4.58
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-imidazol-1-ylpropyl)phenothiazine?
The IUPAC name of 10-(3-imidazol-1-ylpropyl)phenothiazine (CID 131954203) is 10-(3-imidazol-1-ylpropyl)phenothiazine.
What is the SMILES notation for 10-(3-imidazol-1-ylpropyl)phenothiazine?
The canonical SMILES for 10-(3-imidazol-1-ylpropyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2CCCn1ccnc1.
What is the InChIKey of 10-(3-imidazol-1-ylpropyl)phenothiazine?
The InChIKey is GOHBDWLLEZQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S/c1-3-8-17-15(6-1)21(12-5-11-20-13-10-19-14-20)16-7-2-4-9-18(16)22-17/h1-4,6-10,13-14H,5,11-12H2.
What are the key properties of 10-(3-imidazol-1-ylpropyl)phenothiazine?
10-(3-imidazol-1-ylpropyl)phenothiazine has a molecular weight of 307.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-imidazol-1-ylpropyl)phenothiazine is sourced from PubChem (CID 131954203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).