4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole

C27H24Cl2N2 — CID 123381713

IUPAC4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
SMILESClC1=C(Cl)N(CCc2ccc3ccccc3c2)CN1CCc1ccc2ccccc2c1
InChIInChI=1S/C27H24Cl2N2/c28-26-27(29)31(16-14-21-10-12-23-6-2-4-8-25(23)18-21)19-30(26)15-13-20-9-11-22-5-1-3-7-24(22)17-20/h1-12,17-18H,13-16,19H2
InChIKeyVZIVVGOQBLJYIZ-UHFFFAOYSA-N
MW447.41 g/mol
LogP6.96
Rot. Bonds6

About 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole

4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole (PubChem CID 123381713) has the molecular formula C27H24Cl2N2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole.

Molecular Properties

Compound Name4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
PubChem CID123381713
Molecular FormulaC27H24Cl2N2
Molecular Weight447.41 g/mol
Exact Mass446.13
IUPAC Name4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
SMILESClC1=C(Cl)N(CCc2ccc3ccccc3c2)CN1CCc1ccc2ccccc2c1
InChIInChI=1S/C27H24Cl2N2/c28-26-27(29)31(16-14-21-10-12-23-6-2-4-8-25(23)18-21)19-30(26)15-13-20-9-11-22-5-1-3-7-24(22)17-20/h1-12,17-18H,13-16,19H2
InChIKeyVZIVVGOQBLJYIZ-UHFFFAOYSA-N
XLogP6.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
CID 123430379
1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709400
1-decyl-3-(2-naphthalen-2-ylethyl)-2H-benzo[f]benzimidazole-4,9-dione
CID 123724544
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
CID 18670905
CID 57459119
CID 57459119
3-naphthalen-2-ylpropanenitrile
CID 13308301
1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole?
The IUPAC name of 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole (CID 123381713) is 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole.
What is the SMILES notation for 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole?
The canonical SMILES for 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole is ClC1=C(Cl)N(CCc2ccc3ccccc3c2)CN1CCc1ccc2ccccc2c1.
What is the InChIKey of 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole?
The InChIKey is VZIVVGOQBLJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2/c28-26-27(29)31(16-14-21-10-12-23-6-2-4-8-25(23)18-21)19-30(26)15-13-20-9-11-22-5-1-3-7-24(22)17-20/h1-12,17-18H,13-16,19H2.
What are the key properties of 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole?
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole has a molecular weight of 447.41 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole is sourced from PubChem (CID 123381713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).