2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole

C16H18N2O — CID 71369845

IUPAC2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCCCOc1ccc(C2=NCCN2)c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-11-19-15-8-7-14(16-17-9-10-18-16)12-5-3-4-6-13(12)15/h3-8H,2,9-11H2,1H3,(H,17,18)
InChIKeyFSZVMUJAVXJKKJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole

2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 71369845) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID71369845
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCCCOc1ccc(C2=NCCN2)c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-11-19-15-8-7-14(16-17-9-10-18-16)12-5-3-4-6-13(12)15/h3-8H,2,9-11H2,1H3,(H,17,18)
InChIKeyFSZVMUJAVXJKKJ-UHFFFAOYSA-N
XLogP2.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole (CID 71369845) is 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole is CCCOc1ccc(C2=NCCN2)c2ccccc12.
What is the InChIKey of 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is FSZVMUJAVXJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-11-19-15-8-7-14(16-17-9-10-18-16)12-5-3-4-6-13(12)15/h3-8H,2,9-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 254.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71369845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).