3-butylbenzimidazolo[2,1-f]purine

C15H15N5 — CID 134852737

IUPAC3-butylbenzimidazolo[2,1-f]purine
SMILESCCCCn1cnc2c1ncn1c3ccccc3nc21
InChIInChI=1S/C15H15N5/c1-2-3-8-19-9-16-13-14(19)17-10-20-12-7-5-4-6-11(12)18-15(13)20/h4-7,9-10H,2-3,8H2,1H3
InChIKeyDPZCFKQMZBISAG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.03
Rot. Bonds3

About 3-butylbenzimidazolo[2,1-f]purine

3-butylbenzimidazolo[2,1-f]purine (PubChem CID 134852737) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-butylbenzimidazolo[2,1-f]purine.

Molecular Properties

Compound Name3-butylbenzimidazolo[2,1-f]purine
PubChem CID134852737
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-butylbenzimidazolo[2,1-f]purine
SMILESCCCCn1cnc2c1ncn1c3ccccc3nc21
InChIInChI=1S/C15H15N5/c1-2-3-8-19-9-16-13-14(19)17-10-20-12-7-5-4-6-11(12)18-15(13)20/h4-7,9-10H,2-3,8H2,1H3
InChIKeyDPZCFKQMZBISAG-UHFFFAOYSA-N
XLogP3.03
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butylbenzimidazolo[2,1-f]purine?
The IUPAC name of 3-butylbenzimidazolo[2,1-f]purine (CID 134852737) is 3-butylbenzimidazolo[2,1-f]purine.
What is the SMILES notation for 3-butylbenzimidazolo[2,1-f]purine?
The canonical SMILES for 3-butylbenzimidazolo[2,1-f]purine is CCCCn1cnc2c1ncn1c3ccccc3nc21.
What is the InChIKey of 3-butylbenzimidazolo[2,1-f]purine?
The InChIKey is DPZCFKQMZBISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-3-8-19-9-16-13-14(19)17-10-20-12-7-5-4-6-11(12)18-15(13)20/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 3-butylbenzimidazolo[2,1-f]purine?
3-butylbenzimidazolo[2,1-f]purine has a molecular weight of 265.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylbenzimidazolo[2,1-f]purine is sourced from PubChem (CID 134852737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).