1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium

C27H23N2+ — CID 167339139

IUPAC1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C27H23N2/c1-20-12-13-24(23-15-14-21-8-6-7-9-22(21)18-23)19-26(20)27-28(2)16-17-29(27)25-10-4-3-5-11-25/h3-19H,1-2H3/q+1
InChIKeyVHURFJZRNIHAIR-UHFFFAOYSA-N
MW375.50 g/mol
LogP6.10
Rot. Bonds3

About 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium

1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium (PubChem CID 167339139) has the molecular formula C27H23N2+ and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium
PubChem CID167339139
Molecular FormulaC27H23N2+
Molecular Weight375.50 g/mol
Exact Mass375.19
IUPAC Name1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C27H23N2/c1-20-12-13-24(23-15-14-21-8-6-7-9-22(21)18-23)19-26(20)27-28(2)16-17-29(27)25-10-4-3-5-11-25/h3-19H,1-2H3/q+1
InChIKeyVHURFJZRNIHAIR-UHFFFAOYSA-N
XLogP6.10
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 56.10
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

7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-4-naphthalen-2-yldibenzofuran-3-carbonitrile
CID 164849873
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
1-methyl-2-[2-methyl-5-(1H-naphthalen-1-id-2-yl)benzene-6-id-1-yl]-3-phenylimidazol-1-ium;yttrium
CID 167339211
1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-3-phenylimidazol-1-ium
CID 123147889
2-[6-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methyl-3-phenylimidazol-1-ium
CID 164849926
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2,4-difluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464881
2-[3,5-dimethyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-1-methyl-3-phenylimidazol-1-ium;2-[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-1-methyl-3-phenylimidazol-1-ium;2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-2-yl]-1-methyl-3-phenylimidazol-1-ium;2-[1-(2,6-diphenylphenyl)-3,5-dimethylpyrrol-2-yl]-1-methyl-3-phenylimidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-1-methyl-3-phenylimidazol-1-ium
CID 161217946
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 11428380
2-methyl-3-[2-methyl-5-(4-methylphenyl)phenyl]naphthalene
CID 144579052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium?
The IUPAC name of 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium (CID 167339139) is 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium is Cc1ccc(-c2ccc3ccccc3c2)cc1-c1n(-c2ccccc2)cc[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium?
The InChIKey is VHURFJZRNIHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2/c1-20-12-13-24(23-15-14-21-8-6-7-9-22(21)18-23)19-26(20)27-28(2)16-17-29(27)25-10-4-3-5-11-25/h3-19H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium?
1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium has a molecular weight of 375.50 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-5-naphthalen-2-ylphenyl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 167339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).