2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol

C19H16BrFN2O — CID 122212491

IUPAC2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol
SMILESCn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21
InChIInChI=1S/C19H16BrFN2O/c1-22-11-15(13-4-2-3-5-16(13)22)19-18(21)14-10-12(20)6-7-17(14)23(19)8-9-24/h2-7,10-11,24H,8-9H2,1H3
InChIKeyMACUOAWMZALOKM-UHFFFAOYSA-N
MW387.25 g/mol
LogP4.69
Rot. Bonds3

About 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol

2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol (PubChem CID 122212491) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol
PubChem CID122212491
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC Name2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol
SMILESCn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21
InChIInChI=1S/C19H16BrFN2O/c1-22-11-15(13-4-2-3-5-16(13)22)19-18(21)14-10-12(20)6-7-17(14)23(19)8-9-24/h2-7,10-11,24H,8-9H2,1H3
InChIKeyMACUOAWMZALOKM-UHFFFAOYSA-N
XLogP4.69
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187
1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
CID 2854573
(3r,4s)-1-[(2-Bromo-6-Fluorophenyl)methyl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 124220776
1-(3,6-Dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836156
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 2836182
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 2851937
1-[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl]-4,6-dimethyl-2(1H)-pyrimidinone
CID 2854692

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol?
The IUPAC name of 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol (CID 122212491) is 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol?
The canonical SMILES for 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol is Cn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21.
What is the InChIKey of 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol?
The InChIKey is MACUOAWMZALOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c1-22-11-15(13-4-2-3-5-16(13)22)19-18(21)14-10-12(20)6-7-17(14)23(19)8-9-24/h2-7,10-11,24H,8-9H2,1H3.
What are the key properties of 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol?
2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol has a molecular weight of 387.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-fluoro-2-(1-methylindol-3-yl)indol-1-yl]ethanol is sourced from PubChem (CID 122212491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).