1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one

C18H14BrN3OS — CID 20569715

IUPAC1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1c2ccccc2Sc2ccc(Br)cc21
InChIInChI=1S/C18H14BrN3OS/c19-13-5-6-17-15(11-13)22(14-3-1-2-4-16(14)24-17)18(23)7-9-21-10-8-20-12-21/h1-6,8,10-12H,7,9H2
InChIKeyJXBAFNYUDNHKKB-UHFFFAOYSA-N
MW400.30 g/mol
LogP4.87
Rot. Bonds3

About 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one

1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one (PubChem CID 20569715) has the molecular formula C18H14BrN3OS and a molecular weight of 400.30 g/mol. Its IUPAC name is 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one
PubChem CID20569715
Molecular FormulaC18H14BrN3OS
Molecular Weight400.30 g/mol
Exact Mass399.00
IUPAC Name1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1c2ccccc2Sc2ccc(Br)cc21
InChIInChI=1S/C18H14BrN3OS/c19-13-5-6-17-15(11-13)22(14-3-1-2-4-16(14)24-17)18(23)7-9-21-10-8-20-12-21/h1-6,8,10-12H,7,9H2
InChIKeyJXBAFNYUDNHKKB-UHFFFAOYSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one (CID 20569715) is 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1c2ccccc2Sc2ccc(Br)cc21.
What is the InChIKey of 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is JXBAFNYUDNHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3OS/c19-13-5-6-17-15(11-13)22(14-3-1-2-4-16(14)24-17)18(23)7-9-21-10-8-20-12-21/h1-6,8,10-12H,7,9H2.
What are the key properties of 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one?
1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 400.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 20569715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).