10-(1H-imidazol-2-ylmethyl)phenothiazine

C16H13N3S — CID 24841511

IUPAC10-(1H-imidazol-2-ylmethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2Cc1ncc[nH]1
InChIInChI=1S/C16H13N3S/c1-3-7-14-12(5-1)19(11-16-17-9-10-18-16)13-6-2-4-8-15(13)20-14/h1-10H,11H2,(H,17,18)
InChIKeyDQBQQKVKNMAHNJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.21
Rot. Bonds2

About 10-(1H-imidazol-2-ylmethyl)phenothiazine

10-(1H-imidazol-2-ylmethyl)phenothiazine (PubChem CID 24841511) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 10-(1H-imidazol-2-ylmethyl)phenothiazine.

Molecular Properties

Compound Name10-(1H-imidazol-2-ylmethyl)phenothiazine
PubChem CID24841511
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name10-(1H-imidazol-2-ylmethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2Cc1ncc[nH]1
InChIInChI=1S/C16H13N3S/c1-3-7-14-12(5-1)19(11-16-17-9-10-18-16)13-6-2-4-8-15(13)20-14/h1-10H,11H2,(H,17,18)
InChIKeyDQBQQKVKNMAHNJ-UHFFFAOYSA-N
XLogP4.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(1H-imidazol-2-ylmethyl)phenothiazine?
The IUPAC name of 10-(1H-imidazol-2-ylmethyl)phenothiazine (CID 24841511) is 10-(1H-imidazol-2-ylmethyl)phenothiazine.
What is the SMILES notation for 10-(1H-imidazol-2-ylmethyl)phenothiazine?
The canonical SMILES for 10-(1H-imidazol-2-ylmethyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2Cc1ncc[nH]1.
What is the InChIKey of 10-(1H-imidazol-2-ylmethyl)phenothiazine?
The InChIKey is DQBQQKVKNMAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-3-7-14-12(5-1)19(11-16-17-9-10-18-16)13-6-2-4-8-15(13)20-14/h1-10H,11H2,(H,17,18).
What are the key properties of 10-(1H-imidazol-2-ylmethyl)phenothiazine?
10-(1H-imidazol-2-ylmethyl)phenothiazine has a molecular weight of 279.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-imidazol-2-ylmethyl)phenothiazine is sourced from PubChem (CID 24841511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).