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

C21H32N4O2 — CID 45191318

IUPAC2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(-n2ccnc2CN2CCN(CC(C)C)C(CCO)C2)cc1
InChIInChI=1S/C21H32N4O2/c1-17(2)14-24-12-11-23(15-19(24)8-13-26)16-21-22-9-10-25(21)18-4-6-20(27-3)7-5-18/h4-7,9-10,17,19,26H,8,11-16H2,1-3H3
InChIKeyJBYQRENLYCYFIF-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.41
Rot. Bonds8

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

2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 45191318) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID45191318
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(-n2ccnc2CN2CCN(CC(C)C)C(CCO)C2)cc1
InChIInChI=1S/C21H32N4O2/c1-17(2)14-24-12-11-23(15-19(24)8-13-26)16-21-22-9-10-25(21)18-4-6-20(27-3)7-5-18/h4-7,9-10,17,19,26H,8,11-16H2,1-3H3
InChIKeyJBYQRENLYCYFIF-UHFFFAOYSA-N
XLogP2.41
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45186433
2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635379
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 70768891
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[(2R)-1-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98586542
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 45191318) is 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is COc1ccc(-n2ccnc2CN2CCN(CC(C)C)C(CCO)C2)cc1.
What is the InChIKey of 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is JBYQRENLYCYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17(2)14-24-12-11-23(15-19(24)8-13-26)16-21-22-9-10-25(21)18-4-6-20(27-3)7-5-18/h4-7,9-10,17,19,26H,8,11-16H2,1-3H3.
What are the key properties of 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 372.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45191318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).