2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

C20H36N4O — CID 45199295

IUPAC2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC3CCCCC3)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C20H36N4O/c1-3-20-21-16(2)19(22-20)15-23-10-11-24(18(14-23)9-12-25)13-17-7-5-4-6-8-17/h17-18,25H,3-15H2,1-2H3,(H,21,22)
InChIKeyOXQVEPRNOJEWPL-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.73
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45199295) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45199295
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC3CCCCC3)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C20H36N4O/c1-3-20-21-16(2)19(22-20)15-23-10-11-24(18(14-23)9-12-25)13-17-7-5-4-6-8-17/h17-18,25H,3-15H2,1-2H3,(H,21,22)
InChIKeyOXQVEPRNOJEWPL-UHFFFAOYSA-N
XLogP2.73
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45199295) is 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is CCc1nc(CN2CCN(CC3CCCCC3)C(CCO)C2)c(C)[nH]1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is OXQVEPRNOJEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-20-21-16(2)19(22-20)15-23-10-11-24(18(14-23)9-12-25)13-17-7-5-4-6-8-17/h17-18,25H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 348.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45199295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).