2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine

C14H28N4 — CID 18982049

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)C(C)(C2=NCCN2)C1
InChIInChI=1S/C14H28N4/c1-11(2)17-8-9-18(12(3)4)14(5,10-17)13-15-6-7-16-13/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyPCQIAKJQCNYCKK-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.18
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine (PubChem CID 18982049) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine
PubChem CID18982049
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)C(C)(C2=NCCN2)C1
InChIInChI=1S/C14H28N4/c1-11(2)17-8-9-18(12(3)4)14(5,10-17)13-15-6-7-16-13/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyPCQIAKJQCNYCKK-UHFFFAOYSA-N
XLogP1.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.18
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)-2-methyl-1,4-di(propan-2-yl)piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine (CID 18982049) is 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine is CC(C)N1CCN(C(C)C)C(C)(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine?
The InChIKey is PCQIAKJQCNYCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)17-8-9-18(12(3)4)14(5,10-17)13-15-6-7-16-13/h11-12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1,4-di(propan-2-yl)piperazine has a molecular weight of 252.41 g/mol, XLogP of 1.18, 3 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)-2-methyl-1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 18982049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).