1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

C22H15BrN2OS — CID 56696528

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESBrc1ccc(COc2ccc(-c3csc4nc5ccccc5n34)cc2)cc1
InChIInChI=1S/C22H15BrN2OS/c23-17-9-5-15(6-10-17)13-26-18-11-7-16(8-12-18)21-14-27-22-24-19-3-1-2-4-20(19)25(21)22/h1-12,14H,13H2
InChIKeyWPYFLWULAFGTHM-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.56
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 56696528) has the molecular formula C22H15BrN2OS and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID56696528
Molecular FormulaC22H15BrN2OS
Molecular Weight435.35 g/mol
Exact Mass434.01
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESBrc1ccc(COc2ccc(-c3csc4nc5ccccc5n34)cc2)cc1
InChIInChI=1S/C22H15BrN2OS/c23-17-9-5-15(6-10-17)13-26-18-11-7-16(8-12-18)21-14-27-22-24-19-3-1-2-4-20(19)25(21)22/h1-12,14H,13H2
InChIKeyWPYFLWULAFGTHM-UHFFFAOYSA-N
XLogP6.56
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-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

3-[4-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)phenyl]propanoic acid
CID 54018589
2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 44583599
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
CID 59348799
CID 59348799
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
benzhydryl 4-[(4-bromophenoxy)methyl]benzoate
CID 126182392

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 56696528) is 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is Brc1ccc(COc2ccc(-c3csc4nc5ccccc5n34)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is WPYFLWULAFGTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2OS/c23-17-9-5-15(6-10-17)13-26-18-11-7-16(8-12-18)21-14-27-22-24-19-3-1-2-4-20(19)25(21)22/h1-12,14H,13H2.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 435.35 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 56696528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).