2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium

C21H19N2+ — CID 169302046

IUPAC2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium
SMILESCc1c(-[n+]2ccn(-c3ccccc3)c2C)ccc2ccccc12
InChIInChI=1S/C21H19N2/c1-16-20-11-7-6-8-18(20)12-13-21(16)23-15-14-22(17(23)2)19-9-4-3-5-10-19/h3-15H,1-2H3/q+1
InChIKeyYZEXKKUBHLZMFK-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.52
Rot. Bonds2

About 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium

2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium (PubChem CID 169302046) has the molecular formula C21H19N2+ and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium.

Molecular Properties

Compound Name2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium
PubChem CID169302046
Molecular FormulaC21H19N2+
Molecular Weight299.40 g/mol
Exact Mass299.15
IUPAC Name2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium
SMILESCc1c(-[n+]2ccn(-c3ccccc3)c2C)ccc2ccccc12
InChIInChI=1S/C21H19N2/c1-16-20-11-7-6-8-18(20)12-13-21(16)23-15-14-22(17(23)2)19-9-4-3-5-10-19/h3-15H,1-2H3/q+1
InChIKeyYZEXKKUBHLZMFK-UHFFFAOYSA-N
XLogP4.52
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylnaphthalen-2-yl)quinolin-1-ium
CID 18615815
2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium
CID 170403008
1-(1-methylnaphthalen-2-yl)pyridin-1-ium-3-carboxylic acid bromide
CID 69331969
1-(1-methylnaphthalen-2-yl)pyridin-1-ium-3-carboxylic acid chloride
CID 69331583
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium
CID 167339139
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-methyl-2-[2-methyl-5-(1H-naphthalen-1-id-2-yl)benzene-6-id-1-yl]-3-phenylimidazol-1-ium;yttrium
CID 167339211
phenanthrene;toluene
CID 158347700
N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-3-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]imidazol-1-ium
CID 167387895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium?
The IUPAC name of 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium (CID 169302046) is 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium.
What is the SMILES notation for 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium?
The canonical SMILES for 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium is Cc1c(-[n+]2ccn(-c3ccccc3)c2C)ccc2ccccc12.
What is the InChIKey of 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium?
The InChIKey is YZEXKKUBHLZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2/c1-16-20-11-7-6-8-18(20)12-13-21(16)23-15-14-22(17(23)2)19-9-4-3-5-10-19/h3-15H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium?
2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium has a molecular weight of 299.40 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 169302046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).