1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole

C19H19N5S — CID 23303057

IUPAC1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESc1ccc(N2CCN(Cc3nsc4nc5ccccc5n34)CC2)cc1
InChIInChI=1S/C19H19N5S/c1-2-6-15(7-3-1)23-12-10-22(11-13-23)14-18-21-25-19-20-16-8-4-5-9-17(16)24(18)19/h1-9H,10-14H2
InChIKeyKFCLDTQOCKUYDF-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.27
Rot. Bonds3

About 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole

1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole (PubChem CID 23303057) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole.

Molecular Properties

Compound Name1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole
PubChem CID23303057
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESc1ccc(N2CCN(Cc3nsc4nc5ccccc5n34)CC2)cc1
InChIInChI=1S/C19H19N5S/c1-2-6-15(7-3-1)23-12-10-22(11-13-23)14-18-21-25-19-20-16-8-4-5-9-17(16)24(18)19/h1-9H,10-14H2
InChIKeyKFCLDTQOCKUYDF-UHFFFAOYSA-N
XLogP3.27
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

Analyze 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-yl)methanone
CID 23303078
N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine
CID 23303056
1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
CID 23303029
3-[(4-phenylpiperazin-1-yl)methyl]-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 47001174
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
5-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)cyclohexa-2,4-dien-1-one
CID 151961928
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzoic acid
CID 171780051
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole (CID 23303057) is 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole.
What is the SMILES notation for 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The canonical SMILES for 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole is c1ccc(N2CCN(Cc3nsc4nc5ccccc5n34)CC2)cc1.
What is the InChIKey of 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The InChIKey is KFCLDTQOCKUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-2-6-15(7-3-1)23-12-10-22(11-13-23)14-18-21-25-19-20-16-8-4-5-9-17(16)24(18)19/h1-9H,10-14H2.
What are the key properties of 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole has a molecular weight of 349.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole is sourced from PubChem (CID 23303057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).