4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole

C28H36Cl2N4 — CID 143690198

IUPAC4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(CCc2cc(C)cc(C)c2N2CN(c3c(C)cc(C)cc3C)C(Cl)=C2Cl)N(C)CN1C
InChIInChI=1S/C28H36Cl2N4/c1-17-11-19(3)25(20(4)12-17)33-16-34(28(30)27(33)29)26-21(5)13-18(2)14-23(26)9-10-24-22(6)31(7)15-32(24)8/h11-14H,9-10,15-16H2,1-8H3
InChIKeyGXUDFNXGTUTEFW-UHFFFAOYSA-N
MW499.53 g/mol
LogP7.12
Rot. Bonds5

About 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole

4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 143690198) has the molecular formula C28H36Cl2N4 and a molecular weight of 499.53 g/mol. Its IUPAC name is 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID143690198
Molecular FormulaC28H36Cl2N4
Molecular Weight499.53 g/mol
Exact Mass498.23
IUPAC Name4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(CCc2cc(C)cc(C)c2N2CN(c3c(C)cc(C)cc3C)C(Cl)=C2Cl)N(C)CN1C
InChIInChI=1S/C28H36Cl2N4/c1-17-11-19(3)25(20(4)12-17)33-16-34(28(30)27(33)29)26-21(5)13-18(2)14-23(26)9-10-24-22(6)31(7)15-32(24)8/h11-14H,9-10,15-16H2,1-8H3
InChIKeyGXUDFNXGTUTEFW-UHFFFAOYSA-N
XLogP7.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;4,5-dichloro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 159633968
4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 171378130
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073213
4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 173174969
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
8-butyl-N-ethyl-6-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazin-1-amine
CID 70094257
CID 101475276
CID 101475276
4-tert-butyl-3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
CID 173283269
1-[1-(2-chloro-4,6-dimethylphenyl)aziridin-2-yl]-N-methylmethanamine
CID 117010202
1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
CID 173052661

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole (CID 143690198) is 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole is CC1=C(CCc2cc(C)cc(C)c2N2CN(c3c(C)cc(C)cc3C)C(Cl)=C2Cl)N(C)CN1C.
What is the InChIKey of 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is GXUDFNXGTUTEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N4/c1-17-11-19(3)25(20(4)12-17)33-16-34(28(30)27(33)29)26-21(5)13-18(2)14-23(26)9-10-24-22(6)31(7)15-32(24)8/h11-14H,9-10,15-16H2,1-8H3.
What are the key properties of 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 499.53 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 143690198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).