2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine

C16H24N4 — CID 62507566

IUPAC2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CCN1CCCCC1
InChIInChI=1S/C16H24N4/c1-2-16-18-14-12-13(17)6-7-15(14)20(16)11-10-19-8-4-3-5-9-19/h6-7,12H,2-5,8-11,17H2,1H3
InChIKeyQBVQHNNYAAWMEY-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.67
Rot. Bonds4

About 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine

2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine (PubChem CID 62507566) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
PubChem CID62507566
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CCN1CCCCC1
InChIInChI=1S/C16H24N4/c1-2-16-18-14-12-13(17)6-7-15(14)20(16)11-10-19-8-4-3-5-9-19/h6-7,12H,2-5,8-11,17H2,1H3
InChIKeyQBVQHNNYAAWMEY-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine (CID 62507566) is 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1CCN1CCCCC1.
What is the InChIKey of 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The InChIKey is QBVQHNNYAAWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-16-18-14-12-13(17)6-7-15(14)20(16)11-10-19-8-4-3-5-9-19/h6-7,12H,2-5,8-11,17H2,1H3.
What are the key properties of 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine is sourced from PubChem (CID 62507566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).