3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine

C15H12ClN5 — CID 102337397

IUPAC3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine
SMILESCc1cnc2c3ncn(Cc4ccccc4Cl)c3ncn12
InChIInChI=1S/C15H12ClN5/c1-10-6-17-15-13-14(19-9-21(10)15)20(8-18-13)7-11-4-2-3-5-12(11)16/h2-6,8-9H,7H2,1H3
InChIKeyOETXQLSVXWVUHY-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.09
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine

3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine (PubChem CID 102337397) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine
PubChem CID102337397
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine
SMILESCc1cnc2c3ncn(Cc4ccccc4Cl)c3ncn12
InChIInChI=1S/C15H12ClN5/c1-10-6-17-15-13-14(19-9-21(10)15)20(8-18-13)7-11-4-2-3-5-12(11)16/h2-6,8-9H,7H2,1H3
InChIKeyOETXQLSVXWVUHY-UHFFFAOYSA-N
XLogP3.09
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine (CID 102337397) is 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine is Cc1cnc2c3ncn(Cc4ccccc4Cl)c3ncn12.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine?
The InChIKey is OETXQLSVXWVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c1-10-6-17-15-13-14(19-9-21(10)15)20(8-18-13)7-11-4-2-3-5-12(11)16/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine?
3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine has a molecular weight of 297.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine is sourced from PubChem (CID 102337397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).