2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine

C16H25N5 — CID 63604343

IUPAC2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCCC1CN(CCc2nc3ccc(N)cc3[nH]2)CCN1C
InChIInChI=1S/C16H25N5/c1-3-13-11-21(9-8-20(13)2)7-6-16-18-14-5-4-12(17)10-15(14)19-16/h4-5,10,13H,3,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyYKNYEGRECHYRFK-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine

2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 63604343) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine
PubChem CID63604343
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCCC1CN(CCc2nc3ccc(N)cc3[nH]2)CCN1C
InChIInChI=1S/C16H25N5/c1-3-13-11-21(9-8-20(13)2)7-6-16-18-14-5-4-12(17)10-15(14)19-16/h4-5,10,13H,3,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyYKNYEGRECHYRFK-UHFFFAOYSA-N
XLogP1.71
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine (CID 63604343) is 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine is CCC1CN(CCc2nc3ccc(N)cc3[nH]2)CCN1C.
What is the InChIKey of 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is YKNYEGRECHYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-13-11-21(9-8-20(13)2)7-6-16-18-14-5-4-12(17)10-15(14)19-16/h4-5,10,13H,3,6-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine?
2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 63604343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).