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

C24H18Cl2F2N2 — CID 66739956

IUPAC5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2F2N2/c1-24(2,16-5-12-20(25)21(26)13-16)22-14-29-23(15-3-6-17(27)7-4-15)30(22)19-10-8-18(28)9-11-19/h3-14H,1-2H3
InChIKeyDGEAOCVZQLQPQP-UHFFFAOYSA-N
MW443.32 g/mol
LogP7.45
Rot. Bonds4

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

5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole (PubChem CID 66739956) has the molecular formula C24H18Cl2F2N2 and a molecular weight of 443.32 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole
PubChem CID66739956
Molecular FormulaC24H18Cl2F2N2
Molecular Weight443.32 g/mol
Exact Mass442.08
IUPAC Name5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2F2N2/c1-24(2,16-5-12-20(25)21(26)13-16)22-14-29-23(15-3-6-17(27)7-4-15)30(22)19-10-8-18(28)9-11-19/h3-14H,1-2H3
InChIKeyDGEAOCVZQLQPQP-UHFFFAOYSA-N
XLogP7.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.32
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole (CID 66739956) is 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole?
The InChIKey is DGEAOCVZQLQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F2N2/c1-24(2,16-5-12-20(25)21(26)13-16)22-14-29-23(15-3-6-17(27)7-4-15)30(22)19-10-8-18(28)9-11-19/h3-14H,1-2H3.
What are the key properties of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole?
5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole has a molecular weight of 443.32 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole is sourced from PubChem (CID 66739956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).