2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride

C14H17ClN2 — CID 5458689

IUPAC2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride
SMILES[Cl-].c1ccc2c(CC3NCC[NH2+]3)cccc2c1
InChIInChI=1S/C14H16N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7,14-16H,8-10H2;1H
InChIKeyCZQLRENTGLAZMZ-UHFFFAOYSA-N
MW248.76 g/mol
LogP-2.12
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride

2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride (PubChem CID 5458689) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride
PubChem CID5458689
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride
SMILES[Cl-].c1ccc2c(CC3NCC[NH2+]3)cccc2c1
InChIInChI=1S/C14H16N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7,14-16H,8-10H2;1H
InChIKeyCZQLRENTGLAZMZ-UHFFFAOYSA-N
XLogP-2.12
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
4-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 106778520
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
3-(naphthalen-1-ylmethyl)-7-thia-11-azatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene
CID 90442565
4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398246
(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 142828365
2-(naphthalen-1-ylmethyl)-1,4-diazabicyclo[2.2.2]octane
CID 172815669
2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
CID 106778526
CID 57419547
CID 57419547
1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 53271421
(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 129391217
6-bromo-1-(naphthalen-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15341883

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride?
The IUPAC name of 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride (CID 5458689) is 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride is [Cl-].c1ccc2c(CC3NCC[NH2+]3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride?
The InChIKey is CZQLRENTGLAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7,14-16H,8-10H2;1H.
What are the key properties of 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride?
2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride has a molecular weight of 248.76 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)imidazolidin-1-ium chloride is sourced from PubChem (CID 5458689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).