4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole

C23H30Cl2N2 — CID 123999338

IUPAC4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
SMILESCCCCCCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C23H30Cl2N2/c1-2-3-4-5-6-7-10-15-26-18-27(23(25)22(26)24)17-19-13-14-20-11-8-9-12-21(20)16-19/h8-9,11-14,16H,2-7,10,15,17-18H2,1H3
InChIKeySCXFXLZDAPOQQG-UHFFFAOYSA-N
MW405.41 g/mol
LogP7.27
Rot. Bonds10

About 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole

4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole (PubChem CID 123999338) has the molecular formula C23H30Cl2N2 and a molecular weight of 405.41 g/mol. Its IUPAC name is 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
PubChem CID123999338
Molecular FormulaC23H30Cl2N2
Molecular Weight405.41 g/mol
Exact Mass404.18
IUPAC Name4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
SMILESCCCCCCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C23H30Cl2N2/c1-2-3-4-5-6-7-10-15-26-18-27(23(25)22(26)24)17-19-13-14-20-11-8-9-12-21(20)16-19/h8-9,11-14,16H,2-7,10,15,17-18H2,1H3
InChIKeySCXFXLZDAPOQQG-UHFFFAOYSA-N
XLogP7.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.41
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
CID 123430379
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
1-decyl-3-(2-naphthalen-2-ylethyl)-2H-benzo[f]benzimidazole-4,9-dione
CID 123724544
ethane;2-hexylnaphthalene
CID 142191207
4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
CID 70982518
2-octylanthracene
CID 23131226
dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium
CID 54360495
2-(octoxymethyl)naphthalene
CID 101192870
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole?
The IUPAC name of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole (CID 123999338) is 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole.
What is the SMILES notation for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole?
The canonical SMILES for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole is CCCCCCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.
What is the InChIKey of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole?
The InChIKey is SCXFXLZDAPOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2/c1-2-3-4-5-6-7-10-15-26-18-27(23(25)22(26)24)17-19-13-14-20-11-8-9-12-21(20)16-19/h8-9,11-14,16H,2-7,10,15,17-18H2,1H3.
What are the key properties of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole?
4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole has a molecular weight of 405.41 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole is sourced from PubChem (CID 123999338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).