4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium

C24H31Cl2N2+ — CID 89158108

IUPAC4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium
SMILESCCCCCCCCCC[n+]1cn(-c2c(C)ccc3ccccc23)c(Cl)c1Cl
InChIInChI=1S/C24H31Cl2N2/c1-3-4-5-6-7-8-9-12-17-27-18-28(24(26)23(27)25)22-19(2)15-16-20-13-10-11-14-21(20)22/h10-11,13-16,18H,3-9,12,17H2,1-2H3/q+1
InChIKeyVYLQRQSSGWCINY-UHFFFAOYSA-N
MW418.43 g/mol
LogP7.67
Rot. Bonds10

About 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium

4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium (PubChem CID 89158108) has the molecular formula C24H31Cl2N2+ and a molecular weight of 418.43 g/mol. Its IUPAC name is 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium.

Molecular Properties

Compound Name4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium
PubChem CID89158108
Molecular FormulaC24H31Cl2N2+
Molecular Weight418.43 g/mol
Exact Mass417.19
IUPAC Name4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium
SMILESCCCCCCCCCC[n+]1cn(-c2c(C)ccc3ccccc23)c(Cl)c1Cl
InChIInChI=1S/C24H31Cl2N2/c1-3-4-5-6-7-8-9-12-17-27-18-28(24(26)23(27)25)22-19(2)15-16-20-13-10-11-14-21(20)22/h10-11,13-16,18H,3-9,12,17H2,1-2H3/q+1
InChIKeyVYLQRQSSGWCINY-UHFFFAOYSA-N
XLogP7.67
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.43
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4,5-dichloro-3-(2-ethylnaphthalen-1-yl)imidazol-1-ium bromide
CID 86719632
heptane;phenanthrene
CID 157482146
4,5-dichloro-1,3-bis(2-ethylnaphthalen-1-yl)imidazol-1-ium
CID 90150173
5-hexylphenanthridin-5-ium
CID 10015686
4-methyl-1-pentylquinolin-1-ium
CID 86110329
4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium
CID 86719663
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
1-hexadecyl-3-[6-(3-hexadecylbenzimidazol-3-ium-1-yl)-2-pyridinyl]benzimidazol-1-ium dibromide
CID 25068115
1,1,2-trimethyl-3-octylbenzo[e]indol-3-ium
CID 11385361
3-hexyl-1,1,2-trimethylbenzo[e]indol-3-ium
CID 23558525
4,5-dichloro-1-(2-ethyl-1H-naphthalen-2-yl)-3-pentylimidazol-3-ium bromide
CID 86719652

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium?
The IUPAC name of 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium (CID 89158108) is 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium.
What is the SMILES notation for 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium?
The canonical SMILES for 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium is CCCCCCCCCC[n+]1cn(-c2c(C)ccc3ccccc23)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium?
The InChIKey is VYLQRQSSGWCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N2/c1-3-4-5-6-7-8-9-12-17-27-18-28(24(26)23(27)25)22-19(2)15-16-20-13-10-11-14-21(20)22/h10-11,13-16,18H,3-9,12,17H2,1-2H3/q+1.
What are the key properties of 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium?
4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium has a molecular weight of 418.43 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium is sourced from PubChem (CID 89158108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).