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

C17H24N4 — CID 62507722

IUPAC2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CCN1CCCCC1
InChIInChI=1S/C17H24N4/c18-14-6-7-16-15(12-14)19-17(13-4-5-13)21(16)11-10-20-8-2-1-3-9-20/h6-7,12-13H,1-5,8-11,18H2
InChIKeyXJAGUCNNXNCLBM-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.98
Rot. Bonds4

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

2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine (PubChem CID 62507722) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
PubChem CID62507722
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CCN1CCCCC1
InChIInChI=1S/C17H24N4/c18-14-6-7-16-15(12-14)19-17(13-4-5-13)21(16)11-10-20-8-2-1-3-9-20/h6-7,12-13H,1-5,8-11,18H2
InChIKeyXJAGUCNNXNCLBM-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.98
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-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine (CID 62507722) is 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C1CC1)n2CCN1CCCCC1.
What is the InChIKey of 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
The InChIKey is XJAGUCNNXNCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c18-14-6-7-16-15(12-14)19-17(13-4-5-13)21(16)11-10-20-8-2-1-3-9-20/h6-7,12-13H,1-5,8-11,18H2.
What are the key properties of 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine?
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine is sourced from PubChem (CID 62507722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).