2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine

C20H15N3S — CID 71418918

IUPAC2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine
SMILESCc1nc2cc3c(cc2n1-c1ccccc1)Sc1ccccc1N3
InChIInChI=1S/C20H15N3S/c1-13-21-16-11-17-20(24-19-10-6-5-9-15(19)22-17)12-18(16)23(13)14-7-3-2-4-8-14/h2-12,22H,1H3
InChIKeyCLAJGJQWKZMWHG-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.54
Rot. Bonds1

About 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine

2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine (PubChem CID 71418918) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine.

Molecular Properties

Compound Name2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine
PubChem CID71418918
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC Name2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine
SMILESCc1nc2cc3c(cc2n1-c1ccccc1)Sc1ccccc1N3
InChIInChI=1S/C20H15N3S/c1-13-21-16-11-17-20(24-19-10-6-5-9-15(19)22-17)12-18(16)23(13)14-7-3-2-4-8-14/h2-12,22H,1H3
InChIKeyCLAJGJQWKZMWHG-UHFFFAOYSA-N
XLogP5.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine?
The IUPAC name of 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine (CID 71418918) is 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine.
What is the SMILES notation for 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine?
The canonical SMILES for 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine is Cc1nc2cc3c(cc2n1-c1ccccc1)Sc1ccccc1N3.
What is the InChIKey of 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine?
The InChIKey is CLAJGJQWKZMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c1-13-21-16-11-17-20(24-19-10-6-5-9-15(19)22-17)12-18(16)23(13)14-7-3-2-4-8-14/h2-12,22H,1H3.
What are the key properties of 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine?
2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine has a molecular weight of 329.43 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-10H-imidazo[4,5-b]phenothiazine is sourced from PubChem (CID 71418918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).