2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone

C18H15N3O2S — CID 20569761

IUPAC2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
SMILESCOc1ccc2c(c1)Sc1ccccc1N2C(=O)Cn1ccnc1
InChIInChI=1S/C18H15N3O2S/c1-23-13-6-7-15-17(10-13)24-16-5-3-2-4-14(16)21(15)18(22)11-20-9-8-19-12-20/h2-10,12H,11H2,1H3
InChIKeyNVKHAHNGYBWBEL-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.72
Rot. Bonds3

About 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone

2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone (PubChem CID 20569761) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
PubChem CID20569761
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
SMILESCOc1ccc2c(c1)Sc1ccccc1N2C(=O)Cn1ccnc1
InChIInChI=1S/C18H15N3O2S/c1-23-13-6-7-15-17(10-13)24-16-5-3-2-4-14(16)21(15)18(22)11-20-9-8-19-12-20/h2-10,12H,11H2,1H3
InChIKeyNVKHAHNGYBWBEL-UHFFFAOYSA-N
XLogP3.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-10-methylphenothiazine
CID 18761115
1-(2-bromophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one
CID 20569715
1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone
CID 134105125
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
CID 54369042
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
2-imidazol-1-yl-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
CID 3078457
N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
CID 17473230
2-methoxy-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phenothiazine-10-carboxamide
CID 14027141
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone (CID 20569761) is 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone is COc1ccc2c(c1)Sc1ccccc1N2C(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone?
The InChIKey is NVKHAHNGYBWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-13-6-7-15-17(10-13)24-16-5-3-2-4-14(16)21(15)18(22)11-20-9-8-19-12-20/h2-10,12H,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone?
2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone has a molecular weight of 337.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone is sourced from PubChem (CID 20569761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).