2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride

C15H17ClN2 — CID 45265388

IUPAC2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC(C1=NCCN1)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H
InChIKeyBULGSFGDVWVYMX-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.37
Rot. Bonds2

About 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45265388) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45265388
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC(C1=NCCN1)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H
InChIKeyBULGSFGDVWVYMX-UHFFFAOYSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45265388) is 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride is CC(C1=NCCN1)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is BULGSFGDVWVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45265388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).