Skip to content

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

C34H31N5O2 — CID 155796212

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

IUPAC1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C34H31N5O2/c40-28-12-13-30-29(18-28)27(19-35-30)17-33(41)39-15-14-38(21-23-6-2-1-3-7-23)22-32(39)34-36-20-31(37-34)26-11-10-24-8-4-5-9-25(24)16-26/h1-13,16,18-20,32,35,40H,14-15,17,21-22H2,(H,36,37)
InChIKeyBETHYFHVWIJKPV-UHFFFAOYSA-N
MW541.66 g/mol
LogP6.05
Rot. Bonds6

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

1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone (PubChem CID 155796212) has the molecular formula C34H31N5O2 and a molecular weight of 541.66 g/mol. Its IUPAC name is 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
PubChem CID155796212
Molecular FormulaC34H31N5O2
Molecular Weight541.66 g/mol
Exact Mass541.25
IUPAC Name1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C34H31N5O2/c40-28-12-13-30-29(18-28)27(19-35-30)17-33(41)39-15-14-38(21-23-6-2-1-3-7-23)22-32(39)34-36-20-31(37-34)26-11-10-24-8-4-5-9-25(24)16-26/h1-13,16,18-20,32,35,40H,14-15,17,21-22H2,(H,36,37)
InChIKeyBETHYFHVWIJKPV-UHFFFAOYSA-N
XLogP6.05
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.66
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-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 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone (CID 155796212) is 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone?
The InChIKey is BETHYFHVWIJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O2/c40-28-12-13-30-29(18-28)27(19-35-30)17-33(41)39-15-14-38(21-23-6-2-1-3-7-23)22-32(39)34-36-20-31(37-34)26-11-10-24-8-4-5-9-25(24)16-26/h1-13,16,18-20,32,35,40H,14-15,17,21-22H2,(H,36,37).
What are the key properties of 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone?
1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone has a molecular weight of 541.66 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 155796212), 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.