(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C16H12BrN5O — CID 51126615

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H12BrN5O/c17-13-4-5-15-11(8-13)6-7-21(15)16(23)12-2-1-3-14(9-12)22-10-18-19-20-22/h1-5,8-10H,6-7H2
InChIKeyXUYSHULJEXVZPJ-UHFFFAOYSA-N
MW370.21 g/mol
LogP2.63
Rot. Bonds2

About (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 51126615) has the molecular formula C16H12BrN5O and a molecular weight of 370.21 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID51126615
Molecular FormulaC16H12BrN5O
Molecular Weight370.21 g/mol
Exact Mass369.02
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H12BrN5O/c17-13-4-5-15-11(8-13)6-7-21(15)16(23)12-2-1-3-14(9-12)22-10-18-19-20-22/h1-5,8-10H,6-7H2
InChIKeyXUYSHULJEXVZPJ-UHFFFAOYSA-N
XLogP2.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 51126615) is (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is XUYSHULJEXVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O/c17-13-4-5-15-11(8-13)6-7-21(15)16(23)12-2-1-3-14(9-12)22-10-18-19-20-22/h1-5,8-10H,6-7H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 370.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 51126615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).