2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole

C25H22N6S — CID 138571445

IUPAC2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESc1cn(-c2ccc(Cc3cnc(N4CCc5ccc(-n6ccnc6)cc5C4)s3)cc2)cn1
InChIInChI=1S/C25H22N6S/c1-4-22(30-11-8-26-17-30)5-2-19(1)13-24-15-28-25(32-24)29-10-7-20-3-6-23(14-21(20)16-29)31-12-9-27-18-31/h1-6,8-9,11-12,14-15,17-18H,7,10,13,16H2
InChIKeyZZBCSYNNCJILMI-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.67
Rot. Bonds5

About 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole

2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole (PubChem CID 138571445) has the molecular formula C25H22N6S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole
PubChem CID138571445
Molecular FormulaC25H22N6S
Molecular Weight438.56 g/mol
Exact Mass438.16
IUPAC Name2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESc1cn(-c2ccc(Cc3cnc(N4CCc5ccc(-n6ccnc6)cc5C4)s3)cc2)cn1
InChIInChI=1S/C25H22N6S/c1-4-22(30-11-8-26-17-30)5-2-19(1)13-24-15-28-25(32-24)29-10-7-20-3-6-23(14-21(20)16-29)31-12-9-27-18-31/h1-6,8-9,11-12,14-15,17-18H,7,10,13,16H2
InChIKeyZZBCSYNNCJILMI-UHFFFAOYSA-N
XLogP4.67
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole (CID 138571445) is 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole is c1cn(-c2ccc(Cc3cnc(N4CCc5ccc(-n6ccnc6)cc5C4)s3)cc2)cn1.
What is the InChIKey of 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is ZZBCSYNNCJILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6S/c1-4-22(30-11-8-26-17-30)5-2-19(1)13-24-15-28-25(32-24)29-10-7-20-3-6-23(14-21(20)16-29)31-12-9-27-18-31/h1-6,8-9,11-12,14-15,17-18H,7,10,13,16H2.
What are the key properties of 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole?
2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 438.56 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-imidazol-1-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 138571445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).