2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

C25H26N4O — CID 86818687

IUPAC2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C25H26N4O/c1-17-20(19-11-5-6-12-21(19)27-17)15-24(30)29-14-8-7-13-23(29)25-26-16-22(28-25)18-9-3-2-4-10-18/h2-6,9-12,16,23,27H,7-8,13-15H2,1H3,(H,26,28)
InChIKeyXKEYIFRTBKEVDR-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.16
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 86818687) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID86818687
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C25H26N4O/c1-17-20(19-11-5-6-12-21(19)27-17)15-24(30)29-14-8-7-13-23(29)25-26-16-22(28-25)18-9-3-2-4-10-18/h2-6,9-12,16,23,27H,7-8,13-15H2,1H3,(H,26,28)
InChIKeyXKEYIFRTBKEVDR-UHFFFAOYSA-N
XLogP5.16
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
CID 119037018
2-(3-fluoro-4-methoxyphenyl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 126766506
1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 146132426
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 124621608
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 159985199
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 143630572
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70986628
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[(2R)-2-amino-4-methyl-1H-azet-2-yl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 70986255

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 86818687) is 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is Cc1[nH]c2ccccc2c1CC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is XKEYIFRTBKEVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-20(19-11-5-6-12-21(19)27-17)15-24(30)29-14-8-7-13-23(29)25-26-16-22(28-25)18-9-3-2-4-10-18/h2-6,9-12,16,23,27H,7-8,13-15H2,1H3,(H,26,28).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86818687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).