4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

C21H32N4O — CID 70728906

IUPAC4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C21H32N4O/c1-21(2,26)8-7-19-3-5-20(6-4-19)17-24-14-11-23(12-15-24)13-16-25-10-9-22-18-25/h3-6,9-10,18,26H,7-8,11-17H2,1-2H3
InChIKeyXWDHCBWXXVGUCQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.40
Rot. Bonds8

About 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (PubChem CID 70728906) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
PubChem CID70728906
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C21H32N4O/c1-21(2,26)8-7-19-3-5-20(6-4-19)17-24-14-11-23(12-15-24)13-16-25-10-9-22-18-25/h3-6,9-10,18,26H,7-8,11-17H2,1-2H3
InChIKeyXWDHCBWXXVGUCQ-UHFFFAOYSA-N
XLogP2.40
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533467
2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
CID 70746652
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
2-[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 70744337
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
2-[[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 70729328

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (CID 70728906) is 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is CC(C)(O)CCc1ccc(CN2CCN(CCn3ccnc3)CC2)cc1.
What is the InChIKey of 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The InChIKey is XWDHCBWXXVGUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-21(2,26)8-7-19-3-5-20(6-4-19)17-24-14-11-23(12-15-24)13-16-25-10-9-22-18-25/h3-6,9-10,18,26H,7-8,11-17H2,1-2H3.
What are the key properties of 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol has a molecular weight of 356.51 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 70728906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).