2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine

C18H27N5 — CID 84744421

IUPAC2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine
SMILESCc1nc(C(CN)N2CCN(Cc3ccccc3)CC2)cn1C
InChIInChI=1S/C18H27N5/c1-15-20-17(14-21(15)2)18(12-19)23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,14,18H,8-13,19H2,1-2H3
InChIKeyHJOGNVMUBWDSHA-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine

2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine (PubChem CID 84744421) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine
PubChem CID84744421
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine
SMILESCc1nc(C(CN)N2CCN(Cc3ccccc3)CC2)cn1C
InChIInChI=1S/C18H27N5/c1-15-20-17(14-21(15)2)18(12-19)23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,14,18H,8-13,19H2,1-2H3
InChIKeyHJOGNVMUBWDSHA-UHFFFAOYSA-N
XLogP1.55
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine (CID 84744421) is 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine is Cc1nc(C(CN)N2CCN(Cc3ccccc3)CC2)cn1C.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine?
The InChIKey is HJOGNVMUBWDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-15-20-17(14-21(15)2)18(12-19)23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,14,18H,8-13,19H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine?
2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine has a molecular weight of 313.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 84744421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).