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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Related Compounds

3-[1-(8-ethyl-9-methylpurin-6-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 66806622
9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxylic acid
CID 66799955
1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 158614459
3-[1-[9-methyl-8-(1,3-oxazol-4-yl)purin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 66799951
N-(cyclopropylmethyl)-9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxamide
CID 56948204
3-[1-[8-(3-fluoropyrrolidine-1-carbonyl)-9-methylpurin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 77169433
3-[1-[9-methyl-8-(5-methyl-1,3,4-oxadiazol-2-yl)purin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 66802307
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide
CID 66806549
8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine
CID 66802416
2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
N-(4-hydroxycyclohexyl)-9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxamide
CID 66803964
3-[1-[8-(3-bromo-2,3-dihydropyridin-5-yl)-9-methylpurin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 123846897

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).