2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine

C17H34N4 — CID 10637588

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine
SMILESCCC(C)CN1CCN(CC(C)CC)C(C2=NCCN2)C1
InChIInChI=1S/C17H34N4/c1-5-14(3)11-20-9-10-21(12-15(4)6-2)16(13-20)17-18-7-8-19-17/h14-16H,5-13H2,1-4H3,(H,18,19)
InChIKeyFHNPEDBTALQYTO-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.07
Rot. Bonds7

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine (PubChem CID 10637588) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine
PubChem CID10637588
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine
SMILESCCC(C)CN1CCN(CC(C)CC)C(C2=NCCN2)C1
InChIInChI=1S/C17H34N4/c1-5-14(3)11-20-9-10-21(12-15(4)6-2)16(13-20)17-18-7-8-19-17/h14-16H,5-13H2,1-4H3,(H,18,19)
InChIKeyFHNPEDBTALQYTO-UHFFFAOYSA-N
XLogP2.07
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine (CID 10637588) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine is CCC(C)CN1CCN(CC(C)CC)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine?
The InChIKey is FHNPEDBTALQYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-5-14(3)11-20-9-10-21(12-15(4)6-2)16(13-20)17-18-7-8-19-17/h14-16H,5-13H2,1-4H3,(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine has a molecular weight of 294.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylbutyl)piperazine is sourced from PubChem (CID 10637588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).