2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol

C24H36N4O2 — CID 45199441

IUPAC2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(-n2ccnc2CN2CCN(CC3CCCCC3)C(CCO)C2)cc1
InChIInChI=1S/C24H36N4O2/c1-30-23-9-7-21(8-10-23)28-13-12-25-24(28)19-26-14-15-27(22(18-26)11-16-29)17-20-5-3-2-4-6-20/h7-10,12-13,20,22,29H,2-6,11,14-19H2,1H3
InChIKeyBTKUCLKVOZMAQD-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.33
Rot. Bonds8

About 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 45199441) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
PubChem CID45199441
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(-n2ccnc2CN2CCN(CC3CCCCC3)C(CCO)C2)cc1
InChIInChI=1S/C24H36N4O2/c1-30-23-9-7-21(8-10-23)28-13-12-25-24(28)19-26-14-15-27(22(18-26)11-16-29)17-20-5-3-2-4-6-20/h7-10,12-13,20,22,29H,2-6,11,14-19H2,1H3
InChIKeyBTKUCLKVOZMAQD-UHFFFAOYSA-N
XLogP3.33
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol (CID 45199441) is 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol is COc1ccc(-n2ccnc2CN2CCN(CC3CCCCC3)C(CCO)C2)cc1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is BTKUCLKVOZMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-30-23-9-7-21(8-10-23)28-13-12-25-24(28)19-26-14-15-27(22(18-26)11-16-29)17-20-5-3-2-4-6-20/h7-10,12-13,20,22,29H,2-6,11,14-19H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 412.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45199441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).