3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide

C23H19N3 — CID 71561121

IUPAC3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide
SMILESCc1c(-n2cc[n+](Cc3ccc4ccccc4c3)c2)[n-]c2ccccc12
InChIInChI=1S/C23H19N3/c1-17-21-8-4-5-9-22(21)24-23(17)26-13-12-25(16-26)15-18-10-11-19-6-2-3-7-20(19)14-18/h2-14,16H,15H2,1H3
InChIKeyWRIQVMKKAFWQOH-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.39
Rot. Bonds3

About 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide

3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide (PubChem CID 71561121) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide.

Molecular Properties

Compound Name3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide
PubChem CID71561121
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide
SMILESCc1c(-n2cc[n+](Cc3ccc4ccccc4c3)c2)[n-]c2ccccc12
InChIInChI=1S/C23H19N3/c1-17-21-8-4-5-9-22(21)24-23(17)26-13-12-25(16-26)15-18-10-11-19-6-2-3-7-20(19)14-18/h2-14,16H,15H2,1H3
InChIKeyWRIQVMKKAFWQOH-UHFFFAOYSA-N
XLogP4.39
TPSA22.91 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.39
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

3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]-1H-indole
CID 71560994
1-[[1,4-bis(3-methylbutoxy)naphthalen-2-yl]methyl]-3-(naphthalen-2-ylmethyl)imidazol-3-ium
CID 169273841
1-(naphthalen-2-ylmethyl)quinolin-1-ium
CID 139742100
anthracene;naphthalene;phenanthrene
CID 158591187
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
9-methylanthracene;2-methylnaphthalene
CID 159699144
4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-(naphthalen-2-ylmethyl)imidazol-3-ium
CID 123994343
1-[[3,5-bis[[4,5-dichloro-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dichloro-3-(naphthalen-2-ylmethyl)imidazol-3-ium
CID 86719619
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
9-methylanthracene;naphthalene
CID 142881908
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-(phosphorosooxymethyl)naphthalene
CID 69098049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide?
The IUPAC name of 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide (CID 71561121) is 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide.
What is the SMILES notation for 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide?
The canonical SMILES for 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide is Cc1c(-n2cc[n+](Cc3ccc4ccccc4c3)c2)[n-]c2ccccc12.
What is the InChIKey of 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide?
The InChIKey is WRIQVMKKAFWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-17-21-8-4-5-9-22(21)24-23(17)26-13-12-25(16-26)15-18-10-11-19-6-2-3-7-20(19)14-18/h2-14,16H,15H2,1H3.
What are the key properties of 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide?
3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide has a molecular weight of 337.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]indol-1-ide is sourced from PubChem (CID 71561121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).