2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone

C17H18BrN5O — CID 166361978

IUPAC2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C17H18BrN5O/c18-14-2-1-13-3-6-23(15(13)11-14)12-16(24)21-7-9-22(10-8-21)17-19-4-5-20-17/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyMZWHLPDGKNAOOQ-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.48
Rot. Bonds3

About 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone

2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 166361978) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID166361978
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C17H18BrN5O/c18-14-2-1-13-3-6-23(15(13)11-14)12-16(24)21-7-9-22(10-8-21)17-19-4-5-20-17/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyMZWHLPDGKNAOOQ-UHFFFAOYSA-N
XLogP2.48
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 166361978) is 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone is O=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ncc[nH]2)CC1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is MZWHLPDGKNAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c18-14-2-1-13-3-6-23(15(13)11-14)12-16(24)21-7-9-22(10-8-21)17-19-4-5-20-17/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 388.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).