5-(1-naphthalen-1-ylpropyl)-1H-imidazole

C16H16N2 — CID 10657471

IUPAC5-(1-naphthalen-1-ylpropyl)-1H-imidazole
SMILESCCC(c1cnc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H16N2/c1-2-13(16-10-17-11-18-16)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,13H,2H2,1H3,(H,17,18)
InChIKeyLDZDVSZUAUUBGV-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.10
Rot. Bonds3

About 5-(1-naphthalen-1-ylpropyl)-1H-imidazole

5-(1-naphthalen-1-ylpropyl)-1H-imidazole (PubChem CID 10657471) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(1-naphthalen-1-ylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1-naphthalen-1-ylpropyl)-1H-imidazole
PubChem CID10657471
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-(1-naphthalen-1-ylpropyl)-1H-imidazole
SMILESCCC(c1cnc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H16N2/c1-2-13(16-10-17-11-18-16)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,13H,2H2,1H3,(H,17,18)
InChIKeyLDZDVSZUAUUBGV-UHFFFAOYSA-N
XLogP4.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-naphthalen-1-ylpropyl)-1H-imidazole?
The IUPAC name of 5-(1-naphthalen-1-ylpropyl)-1H-imidazole (CID 10657471) is 5-(1-naphthalen-1-ylpropyl)-1H-imidazole.
What is the SMILES notation for 5-(1-naphthalen-1-ylpropyl)-1H-imidazole?
The canonical SMILES for 5-(1-naphthalen-1-ylpropyl)-1H-imidazole is CCC(c1cnc[nH]1)c1cccc2ccccc12.
What is the InChIKey of 5-(1-naphthalen-1-ylpropyl)-1H-imidazole?
The InChIKey is LDZDVSZUAUUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-13(16-10-17-11-18-16)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,13H,2H2,1H3,(H,17,18).
What are the key properties of 5-(1-naphthalen-1-ylpropyl)-1H-imidazole?
5-(1-naphthalen-1-ylpropyl)-1H-imidazole has a molecular weight of 236.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-naphthalen-1-ylpropyl)-1H-imidazole is sourced from PubChem (CID 10657471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).