2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

C19H16Cl3FN2 — CID 66740004

IUPAC2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CCl)n1-c1ccc(F)cc1
InChIInChI=1S/C19H16Cl3FN2/c1-19(2,12-3-8-15(21)16(22)9-12)17-11-24-18(10-20)25(17)14-6-4-13(23)5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyYLFUFOIDJXFZTB-UHFFFAOYSA-N
MW397.71 g/mol
LogP6.38
Rot. Bonds4

About 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 66740004) has the molecular formula C19H16Cl3FN2 and a molecular weight of 397.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID66740004
Molecular FormulaC19H16Cl3FN2
Molecular Weight397.71 g/mol
Exact Mass396.04
IUPAC Name2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CCl)n1-c1ccc(F)cc1
InChIInChI=1S/C19H16Cl3FN2/c1-19(2,12-3-8-15(21)16(22)9-12)17-11-24-18(10-20)25(17)14-6-4-13(23)5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyYLFUFOIDJXFZTB-UHFFFAOYSA-N
XLogP6.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (CID 66740004) is 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CCl)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is YLFUFOIDJXFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3FN2/c1-19(2,12-3-8-15(21)16(22)9-12)17-11-24-18(10-20)25(17)14-6-4-13(23)5-7-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 397.71 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 66740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).