2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

C14H17ClN2 — CID 3033727

IUPAC2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC1=C(CC2=NCCN2)CCc2ccccc21.Cl
InChIInChI=1S/C14H16N2.ClH/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14;/h1-4,9H,5-8,10H2,(H,15,16);1H
InChIKeyQSIVIHAAKDQDHY-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.83
Rot. Bonds2

About 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 3033727) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID3033727
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC1=C(CC2=NCCN2)CCc2ccccc21.Cl
InChIInChI=1S/C14H16N2.ClH/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14;/h1-4,9H,5-8,10H2,(H,15,16);1H
InChIKeyQSIVIHAAKDQDHY-UHFFFAOYSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 3033727) is 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride is C1=C(CC2=NCCN2)CCc2ccccc21.Cl.
What is the InChIKey of 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is QSIVIHAAKDQDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14;/h1-4,9H,5-8,10H2,(H,15,16);1H.
What are the key properties of 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 3033727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).