4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol

C22H34N4O2 — CID 154569085

IUPAC4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
SMILESCCN1CCN(CCOc2ccccc2-c2nccn2CCC(C)(C)O)CC1
InChIInChI=1S/C22H34N4O2/c1-4-24-13-15-25(16-14-24)17-18-28-20-8-6-5-7-19(20)21-23-10-12-26(21)11-9-22(2,3)27/h5-8,10,12,27H,4,9,11,13-18H2,1-3H3
InChIKeyYQFDKCUTYZMKAP-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.73
Rot. Bonds9

About 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol

4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol (PubChem CID 154569085) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
PubChem CID154569085
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
SMILESCCN1CCN(CCOc2ccccc2-c2nccn2CCC(C)(C)O)CC1
InChIInChI=1S/C22H34N4O2/c1-4-24-13-15-25(16-14-24)17-18-28-20-8-6-5-7-19(20)21-23-10-12-26(21)11-9-22(2,3)27/h5-8,10,12,27H,4,9,11,13-18H2,1-3H3
InChIKeyYQFDKCUTYZMKAP-UHFFFAOYSA-N
XLogP2.73
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
CID 146046653
2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
CID 155494598
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
CID 146040453
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
3-[[2-[2-(4-morpholin-4-ylbutoxy)phenyl]imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154567498
N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine
CID 82559740
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol (CID 154569085) is 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol is CCN1CCN(CCOc2ccccc2-c2nccn2CCC(C)(C)O)CC1.
What is the InChIKey of 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is YQFDKCUTYZMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-24-13-15-25(16-14-24)17-18-28-20-8-6-5-7-19(20)21-23-10-12-26(21)11-9-22(2,3)27/h5-8,10,12,27H,4,9,11,13-18H2,1-3H3.
What are the key properties of 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol?
4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 386.54 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 154569085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).