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

C15H12Cl2N2 — CID 90161211

IUPAC4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole
SMILESClc1ncn(CCc2cccc3ccccc23)c1Cl
InChIInChI=1S/C15H12Cl2N2/c16-14-15(17)19(10-18-14)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2
InChIKeyIIPVQSOHKGLJEU-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.59
Rot. Bonds3

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

4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole (PubChem CID 90161211) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole
PubChem CID90161211
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole
SMILESClc1ncn(CCc2cccc3ccccc23)c1Cl
InChIInChI=1S/C15H12Cl2N2/c16-14-15(17)19(10-18-14)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2
InChIKeyIIPVQSOHKGLJEU-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene
CID 162267616
1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide
CID 162267685
1-[[3,5-bis[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium
CID 123931838
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
2-methyl-1,7-bis(2-naphthalen-1-ylethyl)imidazo[4,5-f]benzimidazole-4,8-dione
CID 90161250
4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-(naphthalen-2-ylmethyl)imidazol-3-ium
CID 123994343
1-(2-dichlorophosphorylethyl)naphthalene
CID 18630427
4-(4,5-dichloroimidazol-1-yl)butan-1-amine
CID 139944584
5-bromo-6-chloro-3-[2-(2-nitrophenyl)ethyl]pyrimidin-4-one
CID 114583513
1-(3,3-dichloropropyl)naphthalene
CID 54458566
3-chloro-6-(2-naphthalen-1-ylethyl)pyridazine
CID 163697878
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole (CID 90161211) is 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole is Clc1ncn(CCc2cccc3ccccc23)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole?
The InChIKey is IIPVQSOHKGLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-14-15(17)19(10-18-14)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2.
What are the key properties of 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole?
4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole has a molecular weight of 291.18 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole is sourced from PubChem (CID 90161211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).