1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole

C18H16BrN3O — CID 162662280

IUPAC1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
SMILESBrc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C18H16BrN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyBGIRFALWHUKTGP-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.10
Rot. Bonds4

About 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole

1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole (PubChem CID 162662280) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
PubChem CID162662280
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
SMILESBrc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C18H16BrN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyBGIRFALWHUKTGP-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The IUPAC name of 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole (CID 162662280) is 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole.
What is the SMILES notation for 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The canonical SMILES for 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole is Brc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The InChIKey is BGIRFALWHUKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2.
What are the key properties of 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole has a molecular weight of 370.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole is sourced from PubChem (CID 162662280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).