4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide

C15H15Cl2IN2 — CID 70982518

IUPAC4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
SMILESC[NH+]1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.[I-]
InChIInChI=1S/C15H14Cl2N2.HI/c1-18-10-19(15(17)14(18)16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8H,9-10H2,1H3;1H
InChIKeyHZCXVJNULGTSRD-UHFFFAOYSA-N
MW421.11 g/mol
LogP-0.26
Rot. Bonds2

About 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide

4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide (PubChem CID 70982518) has the molecular formula C15H15Cl2IN2 and a molecular weight of 421.11 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
PubChem CID70982518
Molecular FormulaC15H15Cl2IN2
Molecular Weight421.11 g/mol
Exact Mass419.97
IUPAC Name4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
SMILESC[NH+]1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.[I-]
InChIInChI=1S/C15H14Cl2N2.HI/c1-18-10-19(15(17)14(18)16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8H,9-10H2,1H3;1H
InChIKeyHZCXVJNULGTSRD-UHFFFAOYSA-N
XLogP-0.26
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole
CID 123515469
4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
CID 123999338
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
CID 123430379
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
1-(naphthalen-2-ylmethyl)pyrrole
CID 15207344
[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 154844051
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-chloro-1-(naphthalen-2-ylmethyl)imidazole
CID 141349461
ethane;2-ethylnaphthalene
CID 90684887
3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1228097

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide (CID 70982518) is 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide is C[NH+]1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.[I-].
What is the InChIKey of 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is HZCXVJNULGTSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2.HI/c1-18-10-19(15(17)14(18)16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8H,9-10H2,1H3;1H.
What are the key properties of 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide?
4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 421.11 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 70982518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).