(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone

C17H13BrN2O — CID 7693269

IUPAC(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc21
InChIInChI=1S/C17H13BrN2O/c18-13-5-6-14-12(9-13)10-15(19-14)17(21)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10,19H,7-8H2
InChIKeyBJTOOOKODUSQTN-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.13
Rot. Bonds1

About (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone

(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 7693269) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID7693269
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc21
InChIInChI=1S/C17H13BrN2O/c18-13-5-6-14-12(9-13)10-15(19-14)17(21)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10,19H,7-8H2
InChIKeyBJTOOOKODUSQTN-UHFFFAOYSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone (CID 7693269) is (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc21.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is BJTOOOKODUSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-13-5-6-14-12(9-13)10-15(19-14)17(21)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10,19H,7-8H2.
What are the key properties of (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone?
(5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 341.21 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 7693269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).