8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine

C23H18BrFN6O — CID 59705025

IUPAC8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine
SMILESFc1ccc2ncn(-c3ncc4nc(-c5cccc(Br)c5)n(C5CCOCC5)c4n3)c2c1
InChIInChI=1S/C23H18BrFN6O/c24-15-3-1-2-14(10-15)21-28-19-12-26-23(29-22(19)31(21)17-6-8-32-9-7-17)30-13-27-18-5-4-16(25)11-20(18)30/h1-5,10-13,17H,6-9H2
InChIKeyDLOPYJOLQNMNHI-UHFFFAOYSA-N
MW493.34 g/mol
LogP5.09
Rot. Bonds3

About 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine

8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine (PubChem CID 59705025) has the molecular formula C23H18BrFN6O and a molecular weight of 493.34 g/mol. Its IUPAC name is 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine.

Molecular Properties

Compound Name8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine
PubChem CID59705025
Molecular FormulaC23H18BrFN6O
Molecular Weight493.34 g/mol
Exact Mass492.07
IUPAC Name8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine
SMILESFc1ccc2ncn(-c3ncc4nc(-c5cccc(Br)c5)n(C5CCOCC5)c4n3)c2c1
InChIInChI=1S/C23H18BrFN6O/c24-15-3-1-2-14(10-15)21-28-19-12-26-23(29-22(19)31(21)17-6-8-32-9-7-17)30-13-27-18-5-4-16(25)11-20(18)30/h1-5,10-13,17H,6-9H2
InChIKeyDLOPYJOLQNMNHI-UHFFFAOYSA-N
XLogP5.09
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine 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

2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-8-pyridin-4-ylpurine
CID 59704914
2-(benzimidazol-1-yl)-9-(oxan-4-yl)-8-phenylpurine
CID 59705009
3-[8-(3-methylphenyl)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile
CID 24954756
2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one
CID 46880122
3-[8-(4-methoxyphenyl)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile
CID 24955117
6-chloro-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one
CID 59799574
2-(6-fluorobenzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]purine
CID 91034354
3-[7-[(3-fluorophenyl)methyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]benzimidazole-5-carbonitrile
CID 59727033
3-[2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxo-7H-purin-6-yl]-N-propan-2-ylbenzenesulfonamide
CID 91548002
2-(6-fluorobenzimidazol-1-yl)-6-[(3S)-3-fluoropyrrolidin-1-yl]-9-(oxan-4-yl)-7H-purin-8-one
CID 24830381
2-(6-chlorobenzimidazol-1-yl)-9-(4-methoxycyclohexyl)-8-pyrimidin-5-ylpurine
CID 59704991
2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine?
The IUPAC name of 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine (CID 59705025) is 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine.
What is the SMILES notation for 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine?
The canonical SMILES for 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine is Fc1ccc2ncn(-c3ncc4nc(-c5cccc(Br)c5)n(C5CCOCC5)c4n3)c2c1.
What is the InChIKey of 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine?
The InChIKey is DLOPYJOLQNMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN6O/c24-15-3-1-2-14(10-15)21-28-19-12-26-23(29-22(19)31(21)17-6-8-32-9-7-17)30-13-27-18-5-4-16(25)11-20(18)30/h1-5,10-13,17H,6-9H2.
What are the key properties of 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine?
8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine has a molecular weight of 493.34 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine is sourced from PubChem (CID 59705025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).