1H-benzimidazole;2-methylpiperidine

C13H19N3 — CID 159722645

IUPAC1H-benzimidazole;2-methylpiperidine
SMILESCC1CCCCN1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C6H13N/c1-2-4-7-6(3-1)8-5-9-7;1-6-4-2-3-5-7-6/h1-5H,(H,8,9);6-7H,2-5H2,1H3
InChIKeyNAFRKHKWWNNSDB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.71
Rot. Bonds

About 1H-benzimidazole;2-methylpiperidine

1H-benzimidazole;2-methylpiperidine (PubChem CID 159722645) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1H-benzimidazole;2-methylpiperidine.

Molecular Properties

Compound Name1H-benzimidazole;2-methylpiperidine
PubChem CID159722645
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1H-benzimidazole;2-methylpiperidine
SMILESCC1CCCCN1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C6H13N/c1-2-4-7-6(3-1)8-5-9-7;1-6-4-2-3-5-7-6/h1-5H,(H,8,9);6-7H,2-5H2,1H3
InChIKeyNAFRKHKWWNNSDB-UHFFFAOYSA-N
XLogP2.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-benzimidazole;2-methylpiperidine 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

1H-benzimidazole;piperidine
CID 66784764
1H-benzimidazole;3-methylpiperidine
CID 158002196
1H-benzimidazole;manganese
CID 158140840
bis(1H-benzimidazole);hydrate
CID 23293238
disilver;1H-benzimidazole
CID 21437015
1H-benzimidazole;zinc
CID 162235320
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;propane;hydroiodide
CID 172791937
1H-benzimidazole;oxolane
CID 157372147
1H-benzimidazole;piperidine;pyridine
CID 157406535

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2-methylpiperidine?
The IUPAC name of 1H-benzimidazole;2-methylpiperidine (CID 159722645) is 1H-benzimidazole;2-methylpiperidine.
What is the SMILES notation for 1H-benzimidazole;2-methylpiperidine?
The canonical SMILES for 1H-benzimidazole;2-methylpiperidine is CC1CCCCN1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;2-methylpiperidine?
The InChIKey is NAFRKHKWWNNSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H13N/c1-2-4-7-6(3-1)8-5-9-7;1-6-4-2-3-5-7-6/h1-5H,(H,8,9);6-7H,2-5H2,1H3.
What are the key properties of 1H-benzimidazole;2-methylpiperidine?
1H-benzimidazole;2-methylpiperidine has a molecular weight of 217.32 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;2-methylpiperidine is sourced from PubChem (CID 159722645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).