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

C30H31N5O2 — CID 135151458

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc2[nH]c(C)c(CC(=O)N3CCN(C)CC3c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1
InChIInChI=1S/C30H31N5O2/c1-19-24(25-15-23(37-3)10-11-26(25)32-19)16-29(36)35-13-12-34(2)18-28(35)30-31-17-27(33-30)22-9-8-20-6-4-5-7-21(20)14-22/h4-11,14-15,17,28,32H,12-13,16,18H2,1-3H3,(H,31,33)
InChIKeyHOEVNGWWHDNIIP-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.09
Rot. Bonds5

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

2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 135151458) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID135151458
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc2[nH]c(C)c(CC(=O)N3CCN(C)CC3c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1
InChIInChI=1S/C30H31N5O2/c1-19-24(25-15-23(37-3)10-11-26(25)32-19)16-29(36)35-13-12-34(2)18-28(35)30-31-17-27(33-30)22-9-8-20-6-4-5-7-21(20)14-22/h4-11,14-15,17,28,32H,12-13,16,18H2,1-3H3,(H,31,33)
InChIKeyHOEVNGWWHDNIIP-UHFFFAOYSA-N
XLogP5.09
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 135151458) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is COc1ccc2[nH]c(C)c(CC(=O)N3CCN(C)CC3c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HOEVNGWWHDNIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-19-24(25-15-23(37-3)10-11-26(25)32-19)16-29(36)35-13-12-34(2)18-28(35)30-31-17-27(33-30)22-9-8-20-6-4-5-7-21(20)14-22/h4-11,14-15,17,28,32H,12-13,16,18H2,1-3H3,(H,31,33).
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 493.61 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 135151458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).