phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone

C22H18N3OS+ — CID 6974509

IUPACphenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone
SMILESO=C(N1CC[NH+]=C1c1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17N3OS/c26-22(24-15-14-23-21(24)16-8-2-1-3-9-16)25-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)25/h1-13H,14-15H2/p+1
InChIKeyMFEKXAREQWTRHU-UHFFFAOYSA-O
MW372.47 g/mol
LogP3.25
Rot. Bonds1

About phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone

phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone (PubChem CID 6974509) has the molecular formula C22H18N3OS+ and a molecular weight of 372.47 g/mol. Its IUPAC name is phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone.

Molecular Properties

Compound Namephenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone
PubChem CID6974509
Molecular FormulaC22H18N3OS+
Molecular Weight372.47 g/mol
Exact Mass372.12
IUPAC Namephenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone
SMILESO=C(N1CC[NH+]=C1c1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17N3OS/c26-22(24-15-14-23-21(24)16-8-2-1-3-9-16)25-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)25/h1-13H,14-15H2/p+1
InChIKeyMFEKXAREQWTRHU-UHFFFAOYSA-O
XLogP3.25
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone?
The IUPAC name of phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone (CID 6974509) is phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone.
What is the SMILES notation for phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone?
The canonical SMILES for phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone is O=C(N1CC[NH+]=C1c1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone?
The InChIKey is MFEKXAREQWTRHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H17N3OS/c26-22(24-15-14-23-21(24)16-8-2-1-3-9-16)25-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)25/h1-13H,14-15H2/p+1.
What are the key properties of phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone?
phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone is sourced from PubChem (CID 6974509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).