5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole

C16H11Cl3N2 — CID 69094468

IUPAC5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole
SMILESCn1cnc(-c2cc(Cl)ccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2/c1-21-9-20-15(13-8-12(18)6-7-14(13)19)16(21)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyPFHIGQFOESVOKX-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.71
Rot. Bonds2

About 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole

5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole (PubChem CID 69094468) has the molecular formula C16H11Cl3N2 and a molecular weight of 337.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole
PubChem CID69094468
Molecular FormulaC16H11Cl3N2
Molecular Weight337.64 g/mol
Exact Mass336.00
IUPAC Name5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole
SMILESCn1cnc(-c2cc(Cl)ccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2/c1-21-9-20-15(13-8-12(18)6-7-14(13)19)16(21)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyPFHIGQFOESVOKX-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
Climazolam
CID 68790
1-(4-Chloro-benzyl)-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682344
1-(2-Chlorobenzyl)-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1399892
N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
CID 10042024
1-(4-Chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole
CID 134330413
5-(3-Chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole
CID 134330422
4-Chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole
CID 134330483
1-Methyl-4,5-diphenyl-1H-imidazole
CID 12974798
5-(4-Chloro-phenyl)-1-methyl-1H-imidazol-2-ylamine
CID 656297
1-(2-Chlorobenzyl)-3-(4-chlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 941580
1-(3-Chloro-benzyl)-3-(4-chloro-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005787

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole (CID 69094468) is 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole is Cn1cnc(-c2cc(Cl)ccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole?
The InChIKey is PFHIGQFOESVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2/c1-21-9-20-15(13-8-12(18)6-7-14(13)19)16(21)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole?
5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole has a molecular weight of 337.64 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)-1-methylimidazole is sourced from PubChem (CID 69094468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).