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

C15H12N4O — CID 18165339

IUPAC2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCc2ccccc21
InChIInChI=1S/C15H12N4O/c20-15(11-5-6-12-13(9-11)17-18-16-12)19-8-7-10-3-1-2-4-14(10)19/h1-6,9H,7-8H2,(H,16,17,18)
InChIKeyBWEGRARIPXXNQU-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.16
Rot. Bonds1

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

2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone (PubChem CID 18165339) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone
PubChem CID18165339
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCc2ccccc21
InChIInChI=1S/C15H12N4O/c20-15(11-5-6-12-13(9-11)17-18-16-12)19-8-7-10-3-1-2-4-14(10)19/h1-6,9H,7-8H2,(H,16,17,18)
InChIKeyBWEGRARIPXXNQU-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone (CID 18165339) is 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc2n[nH]nc2c1)N1CCc2ccccc21.
What is the InChIKey of 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone?
The InChIKey is BWEGRARIPXXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(11-5-6-12-13(9-11)17-18-16-12)19-8-7-10-3-1-2-4-14(10)19/h1-6,9H,7-8H2,(H,16,17,18).
What are the key properties of 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone?
2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone has a molecular weight of 264.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 18165339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).