(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol

C25H32N4O — CID 92764522

IUPAC(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
SMILESCc1ccc(C)c([C@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c1
InChIInChI=1S/C25H32N4O/c1-19-9-10-20(2)22(17-19)23(30)18-28-13-15-29(16-14-28)24(21-7-5-4-6-8-21)25-26-11-12-27(25)3/h4-12,17,23-24,30H,13-16,18H2,1-3H3/t23-,24-/m1/s1
InChIKeyDRCDWKYEJLYIHM-DNQXCXABSA-N
MW404.56 g/mol
LogP3.48
Rot. Bonds6

About (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol

(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol (PubChem CID 92764522) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
PubChem CID92764522
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
SMILESCc1ccc(C)c([C@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c1
InChIInChI=1S/C25H32N4O/c1-19-9-10-20(2)22(17-19)23(30)18-28-13-15-29(16-14-28)24(21-7-5-4-6-8-21)25-26-11-12-27(25)3/h4-12,17,23-24,30H,13-16,18H2,1-3H3/t23-,24-/m1/s1
InChIKeyDRCDWKYEJLYIHM-DNQXCXABSA-N
XLogP3.48
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol 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-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanol
CID 63026968
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 7689535
(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
CID 46972171
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 51624788
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
CID 46961133
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91938721
1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol
CID 46968099
2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
CID 15288259
1-[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-phenoxyethanone
CID 97458623

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol (CID 92764522) is (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol is Cc1ccc(C)c([C@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c1.
What is the InChIKey of (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol?
The InChIKey is DRCDWKYEJLYIHM-DNQXCXABSA-N. The full InChI is InChI=1S/C25H32N4O/c1-19-9-10-20(2)22(17-19)23(30)18-28-13-15-29(16-14-28)24(21-7-5-4-6-8-21)25-26-11-12-27(25)3/h4-12,17,23-24,30H,13-16,18H2,1-3H3/t23-,24-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol?
(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol has a molecular weight of 404.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 92764522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).