6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine

C18H19N7 — CID 108774131

IUPAC6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
SMILESCc1ccc2nc(C3CCN(c4ncnc5nc[nH]c45)CC3)[nH]c2c1
InChIInChI=1S/C18H19N7/c1-11-2-3-13-14(8-11)24-16(23-13)12-4-6-25(7-5-12)18-15-17(20-9-19-15)21-10-22-18/h2-3,8-10,12H,4-7H2,1H3,(H,23,24)(H,19,20,21,22)
InChIKeyPUFMCYKWIUYLPK-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.92
Rot. Bonds2

About 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine

6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine (PubChem CID 108774131) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
PubChem CID108774131
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
SMILESCc1ccc2nc(C3CCN(c4ncnc5nc[nH]c45)CC3)[nH]c2c1
InChIInChI=1S/C18H19N7/c1-11-2-3-13-14(8-11)24-16(23-13)12-4-6-25(7-5-12)18-15-17(20-9-19-15)21-10-22-18/h2-3,8-10,12H,4-7H2,1H3,(H,23,24)(H,19,20,21,22)
InChIKeyPUFMCYKWIUYLPK-UHFFFAOYSA-N
XLogP2.92
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-7H-purine
CID 133495949
6-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-purine
CID 75371370
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137
6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774133
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
CID 172903790

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine (CID 108774131) is 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine is Cc1ccc2nc(C3CCN(c4ncnc5nc[nH]c45)CC3)[nH]c2c1.
What is the InChIKey of 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine?
The InChIKey is PUFMCYKWIUYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-11-2-3-13-14(8-11)24-16(23-13)12-4-6-25(7-5-12)18-15-17(20-9-19-15)21-10-22-18/h2-3,8-10,12H,4-7H2,1H3,(H,23,24)(H,19,20,21,22).
What are the key properties of 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine?
6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine has a molecular weight of 333.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine is sourced from PubChem (CID 108774131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).