6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole

C17H25N3 — CID 83197892

IUPAC6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole
SMILESCCc1ccc2nc(C(C)(C)C3CCCNC3)[nH]c2c1
InChIInChI=1S/C17H25N3/c1-4-12-7-8-14-15(10-12)20-16(19-14)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyJLLLCXAZQXHNFL-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.40
Rot. Bonds3

About 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole

6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole (PubChem CID 83197892) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole
PubChem CID83197892
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole
SMILESCCc1ccc2nc(C(C)(C)C3CCCNC3)[nH]c2c1
InChIInChI=1S/C17H25N3/c1-4-12-7-8-14-15(10-12)20-16(19-14)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyJLLLCXAZQXHNFL-UHFFFAOYSA-N
XLogP3.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 83197507
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
1-(5-ethyl-2-pyridinyl)-2-piperidin-3-ylpropan-2-ol
CID 79739290
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
CID 107002122
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
2-(6-ethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520336
N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
CID 82336177

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole?
The IUPAC name of 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole (CID 83197892) is 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole is CCc1ccc2nc(C(C)(C)C3CCCNC3)[nH]c2c1.
What is the InChIKey of 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole?
The InChIKey is JLLLCXAZQXHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-12-7-8-14-15(10-12)20-16(19-14)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole?
6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 83197892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).