1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol

C16H15BrN2O2 — CID 2945320

IUPAC1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc2ccccc2c1Br)Cn1ccnc1
InChIInChI=1S/C16H15BrN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2
InChIKeyRJBIHNPBYLOCRK-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol

1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol (PubChem CID 2945320) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
PubChem CID2945320
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc2ccccc2c1Br)Cn1ccnc1
InChIInChI=1S/C16H15BrN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2
InChIKeyRJBIHNPBYLOCRK-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol (CID 2945320) is 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol is OC(COc1ccc2ccccc2c1Br)Cn1ccnc1.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The InChIKey is RJBIHNPBYLOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2.
What are the key properties of 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol has a molecular weight of 347.21 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromonaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 2945320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).