2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole

C27H21Cl2F2N3S — CID 126616267

IUPAC2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCC(Cc1ccc(Cl)cc1)n1c(C(F)F)nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc21
InChIInChI=1S/C27H21Cl2F2N3S/c1-16(14-17-2-7-20(28)8-3-17)34-23-15-19(6-11-22(23)33-26(34)25(30)31)24(27-32-12-13-35-27)18-4-9-21(29)10-5-18/h2-13,15-16,24-25H,14H2,1H3
InChIKeyFNKRUUYWYFRVGT-UHFFFAOYSA-N
MW528.46 g/mol
LogP8.72
Rot. Bonds7

About 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole

2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole (PubChem CID 126616267) has the molecular formula C27H21Cl2F2N3S and a molecular weight of 528.46 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
PubChem CID126616267
Molecular FormulaC27H21Cl2F2N3S
Molecular Weight528.46 g/mol
Exact Mass527.08
IUPAC Name2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCC(Cc1ccc(Cl)cc1)n1c(C(F)F)nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc21
InChIInChI=1S/C27H21Cl2F2N3S/c1-16(14-17-2-7-20(28)8-3-17)34-23-15-19(6-11-22(23)33-26(34)25(30)31)24(27-32-12-13-35-27)18-4-9-21(29)10-5-18/h2-13,15-16,24-25H,14H2,1H3
InChIKeyFNKRUUYWYFRVGT-UHFFFAOYSA-N
XLogP8.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.46
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole (CID 126616267) is 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole is CC(Cc1ccc(Cl)cc1)n1c(C(F)F)nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc21.
What is the InChIKey of 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The InChIKey is FNKRUUYWYFRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2F2N3S/c1-16(14-17-2-7-20(28)8-3-17)34-23-15-19(6-11-22(23)33-26(34)25(30)31)24(27-32-12-13-35-27)18-4-9-21(29)10-5-18/h2-13,15-16,24-25H,14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole?
2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole has a molecular weight of 528.46 g/mol, XLogP of 8.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126616267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).