Skip to content

2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone

C35H33N5O2 — CID 155796227

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(CCc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C35H33N5O2/c41-29-12-13-31-30(20-29)28(21-36-31)19-34(42)40-17-16-39(15-14-24-6-2-1-3-7-24)23-33(40)35-37-22-32(38-35)27-11-10-25-8-4-5-9-26(25)18-27/h1-13,18,20-22,33,36,41H,14-17,19,23H2,(H,37,38)
InChIKeyMGQMOXIBFROVSJ-UHFFFAOYSA-N
MW555.68 g/mol
LogP6.09
Rot. Bonds7

About 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone

2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 155796227) has the molecular formula C35H33N5O2 and a molecular weight of 555.68 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID155796227
Molecular FormulaC35H33N5O2
Molecular Weight555.68 g/mol
Exact Mass555.26
IUPAC Name2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(CCc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C35H33N5O2/c41-29-12-13-31-30(20-29)28(21-36-31)19-34(42)40-17-16-39(15-14-24-6-2-1-3-7-24)23-33(40)35-37-22-32(38-35)27-11-10-25-8-4-5-9-26(25)18-27/h1-13,18,20-22,33,36,41H,14-17,19,23H2,(H,37,38)
InChIKeyMGQMOXIBFROVSJ-UHFFFAOYSA-N
XLogP6.09
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 155796227) is 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone is O=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(CCc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is MGQMOXIBFROVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O2/c41-29-12-13-31-30(20-29)28(21-36-31)19-34(42)40-17-16-39(15-14-24-6-2-1-3-7-24)23-33(40)35-37-22-32(38-35)27-11-10-25-8-4-5-9-26(25)18-27/h1-13,18,20-22,33,36,41H,14-17,19,23H2,(H,37,38).
What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 555.68 g/mol, XLogP of 6.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-3-yl)-1-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 155796227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.