6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine

C20H25N7 — CID 123318235

IUPAC6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine
SMILESCCc1nc2c(N3CCC(N4CNc5ccccc54)CC3)ncnc2n1C
InChIInChI=1S/C20H25N7/c1-3-17-24-18-19(25(17)2)21-12-22-20(18)26-10-8-14(9-11-26)27-13-23-15-6-4-5-7-16(15)27/h4-7,12,14,23H,3,8-11,13H2,1-2H3
InChIKeyCXTHEEUHNOZGCO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.78
Rot. Bonds3

About 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine

6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine (PubChem CID 123318235) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine.

Molecular Properties

Compound Name6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine
PubChem CID123318235
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine
SMILESCCc1nc2c(N3CCC(N4CNc5ccccc54)CC3)ncnc2n1C
InChIInChI=1S/C20H25N7/c1-3-17-24-18-19(25(17)2)21-12-22-20(18)26-10-8-14(9-11-26)27-13-23-15-6-4-5-7-16(15)27/h4-7,12,14,23H,3,8-11,13H2,1-2H3
InChIKeyCXTHEEUHNOZGCO-UHFFFAOYSA-N
XLogP2.78
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine?
The IUPAC name of 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine (CID 123318235) is 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine.
What is the SMILES notation for 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine?
The canonical SMILES for 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine is CCc1nc2c(N3CCC(N4CNc5ccccc54)CC3)ncnc2n1C.
What is the InChIKey of 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine?
The InChIKey is CXTHEEUHNOZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-17-24-18-19(25(17)2)21-12-22-20(18)26-10-8-14(9-11-26)27-13-23-15-6-4-5-7-16(15)27/h4-7,12,14,23H,3,8-11,13H2,1-2H3.
What are the key properties of 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine?
6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine has a molecular weight of 363.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine is sourced from PubChem (CID 123318235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).