1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole

C15H17Cl3N2 — CID 19759744

IUPAC1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
SMILESCCCCC(Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl3N2/c1-2-3-6-15(18,10-20-8-7-19-11-20)13-5-4-12(16)9-14(13)17/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyDMAKTAAYKWXBCJ-UHFFFAOYSA-N
MW331.67 g/mol
LogP5.51
Rot. Bonds6

About 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole

1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole (PubChem CID 19759744) has the molecular formula C15H17Cl3N2 and a molecular weight of 331.67 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole.

Molecular Properties

Compound Name1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
PubChem CID19759744
Molecular FormulaC15H17Cl3N2
Molecular Weight331.67 g/mol
Exact Mass330.05
IUPAC Name1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
SMILESCCCCC(Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl3N2/c1-2-3-6-15(18,10-20-8-7-19-11-20)13-5-4-12(16)9-14(13)17/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyDMAKTAAYKWXBCJ-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.67
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
CID 142515228
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)pent-4-ynenitrile
CID 23339888
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole?
The IUPAC name of 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole (CID 19759744) is 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole.
What is the SMILES notation for 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole?
The canonical SMILES for 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole is CCCCC(Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole?
The InChIKey is DMAKTAAYKWXBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N2/c1-2-3-6-15(18,10-20-8-7-19-11-20)13-5-4-12(16)9-14(13)17/h4-5,7-9,11H,2-3,6,10H2,1H3.
What are the key properties of 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole?
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole has a molecular weight of 331.67 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole is sourced from PubChem (CID 19759744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).