(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C22H21N3OS — CID 124546854

IUPAC(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(N2CCCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O
InChIInChI=1S/C22H21N3OS/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-20-21(26)25-19-8-4-3-7-18(19)23-22(25)27-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14-
InChIKeyOIESCPLCYZDORH-ZHZULCJRSA-N
MW375.50 g/mol
LogP3.76
Rot. Bonds2

About (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 124546854) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID124546854
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(N2CCCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O
InChIInChI=1S/C22H21N3OS/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-20-21(26)25-19-8-4-3-7-18(19)23-22(25)27-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14-
InChIKeyOIESCPLCYZDORH-ZHZULCJRSA-N
XLogP3.76
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3411461
2-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1277593
2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1363072
(2Z)-2-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124546777
4-[2,5-dimethyl-3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]pyrrol-1-yl]benzoic acid
CID 1494150
2-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2880885
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
(2Z)-2-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124537378
2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889151
2-[(2-chlorophenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 803117
2-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4892780
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 124546854) is (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc(N2CCCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O.
What is the InChIKey of (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is OIESCPLCYZDORH-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-20-21(26)25-19-8-4-3-7-18(19)23-22(25)27-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14-.
What are the key properties of (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 375.50 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 124546854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).