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

C14H15ClN2 — CID 11079

IUPAC2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(CC3=NCCN3)cccc2c1
InChIInChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
InChIKeyDJDFFEBSKJCGHC-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.81
Rot. Bonds2

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

2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 11079) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID11079
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(CC3=NCCN3)cccc2c1
InChIInChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
InChIKeyDJDFFEBSKJCGHC-UHFFFAOYSA-N
XLogP2.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 11079) is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc2c(CC3=NCCN3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is DJDFFEBSKJCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H.
What are the key properties of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 11079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).