2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine

C25H18N6 — CID 59705017

IUPAC2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine
SMILESc1ccc(Cn2c(-c3ccccc3)nc3cnc(-n4cnc5ccccc54)nc32)cc1
InChIInChI=1S/C25H18N6/c1-3-9-18(10-4-1)16-30-23(19-11-5-2-6-12-19)28-21-15-26-25(29-24(21)30)31-17-27-20-13-7-8-14-22(20)31/h1-15,17H,16H2
InChIKeyCVADFFSGAZPZSO-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.88
Rot. Bonds4

About 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine

2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine (PubChem CID 59705017) has the molecular formula C25H18N6 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine
PubChem CID59705017
Molecular FormulaC25H18N6
Molecular Weight402.46 g/mol
Exact Mass402.16
IUPAC Name2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine
SMILESc1ccc(Cn2c(-c3ccccc3)nc3cnc(-n4cnc5ccccc54)nc32)cc1
InChIInChI=1S/C25H18N6/c1-3-9-18(10-4-1)16-30-23(19-11-5-2-6-12-19)28-21-15-26-25(29-24(21)30)31-17-27-20-13-7-8-14-22(20)31/h1-15,17H,16H2
InChIKeyCVADFFSGAZPZSO-UHFFFAOYSA-N
XLogP4.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-9-(oxan-4-yl)-8-phenylpurine
CID 59705009
2-(benzimidazol-1-yl)-9-(pyridin-4-ylmethyl)purine
CID 59846385
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
CID 141100454
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
2-(benzimidazol-1-yl)-7H-purine
CID 57430843
4-(9-benzyl-6-chloropurin-8-yl)phenol
CID 171791694

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine?
The IUPAC name of 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine (CID 59705017) is 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine?
The canonical SMILES for 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine is c1ccc(Cn2c(-c3ccccc3)nc3cnc(-n4cnc5ccccc54)nc32)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine?
The InChIKey is CVADFFSGAZPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6/c1-3-9-18(10-4-1)16-30-23(19-11-5-2-6-12-19)28-21-15-26-25(29-24(21)30)31-17-27-20-13-7-8-14-22(20)31/h1-15,17H,16H2.
What are the key properties of 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine?
2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine has a molecular weight of 402.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-9-benzyl-8-phenylpurine is sourced from PubChem (CID 59705017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).