cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

C16H28N4O — CID 53037855

IUPACcyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCN1CCN(C2=NCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H28N4O/c1-2-18-10-12-19(13-11-18)16-17-8-9-20(16)15(21)14-6-4-3-5-7-14/h14H,2-13H2,1H3
InChIKeyRXBUEHZJLLSFIE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.40
Rot. Bonds2

About cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53037855) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53037855
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Namecyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCN1CCN(C2=NCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H28N4O/c1-2-18-10-12-19(13-11-18)16-17-8-9-20(16)15(21)14-6-4-3-5-7-14/h14H,2-13H2,1H3
InChIKeyRXBUEHZJLLSFIE-UHFFFAOYSA-N
XLogP1.40
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (CID 53037855) is cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is CCN1CCN(C2=NCCN2C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is RXBUEHZJLLSFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-18-10-12-19(13-11-18)16-17-8-9-20(16)15(21)14-6-4-3-5-7-14/h14H,2-13H2,1H3.
What are the key properties of cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 292.43 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53037855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).