3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one

C18H15N3O2S — CID 20569705

IUPAC3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one
SMILESO=C(CCn1ccnc1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C18H15N3O2S/c22-18(9-11-20-12-10-19-13-20)21-14-5-1-3-7-16(14)24(23)17-8-4-2-6-15(17)21/h1-8,10,12-13H,9,11H2
InChIKeyXSVXMIIKWAJNGY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.12
Rot. Bonds3

About 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one

3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one (PubChem CID 20569705) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one
PubChem CID20569705
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one
SMILESO=C(CCn1ccnc1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C18H15N3O2S/c22-18(9-11-20-12-10-19-13-20)21-14-5-1-3-7-16(14)24(23)17-8-4-2-6-15(17)21/h1-8,10,12-13H,9,11H2
InChIKeyXSVXMIIKWAJNGY-UHFFFAOYSA-N
XLogP3.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one
CID 20569715
benzyl 3-imidazol-1-ylpropanoate
CID 4800438
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
1-[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-imidazol-1-ylpropan-1-one
CID 110134842
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
3-imidazol-1-ylpropanoyl chloride
CID 19872160
4-imidazol-1-yl-1-(2-methylphenyl)butan-2-one
CID 20518887
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
CID 3058924
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
2-aminooxy-7-imidazol-1-yl-5-phenylhept-4-enoic acid
CID 54226104

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one (CID 20569705) is 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one is O=C(CCn1ccnc1)N1c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one?
The InChIKey is XSVXMIIKWAJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-18(9-11-20-12-10-19-13-20)21-14-5-1-3-7-16(14)24(23)17-8-4-2-6-15(17)21/h1-8,10,12-13H,9,11H2.
What are the key properties of 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one?
3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one has a molecular weight of 337.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one is sourced from PubChem (CID 20569705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).