4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C18H10F5N3S — CID 55733335

IUPAC4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFc1cc2ncn(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c2cc1F
InChIInChI=1S/C18H10F5N3S/c19-13-5-15-16(6-14(13)20)26(9-24-15)7-12-8-27-17(25-12)10-1-3-11(4-2-10)18(21,22)23/h1-6,8-9H,7H2
InChIKeyOWKVTODDGILHFN-UHFFFAOYSA-N
MW395.36 g/mol
LogP5.51
Rot. Bonds3

About 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 55733335) has the molecular formula C18H10F5N3S and a molecular weight of 395.36 g/mol. Its IUPAC name is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID55733335
Molecular FormulaC18H10F5N3S
Molecular Weight395.36 g/mol
Exact Mass395.05
IUPAC Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFc1cc2ncn(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c2cc1F
InChIInChI=1S/C18H10F5N3S/c19-13-5-15-16(6-14(13)20)26(9-24-15)7-12-8-27-17(25-12)10-1-3-11(4-2-10)18(21,22)23/h1-6,8-9H,7H2
InChIKeyOWKVTODDGILHFN-UHFFFAOYSA-N
XLogP5.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 24630191
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 115582415
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24629381
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 55733335) is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Fc1cc2ncn(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c2cc1F.
What is the InChIKey of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is OWKVTODDGILHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3S/c19-13-5-15-16(6-14(13)20)26(9-24-15)7-12-8-27-17(25-12)10-1-3-11(4-2-10)18(21,22)23/h1-6,8-9H,7H2.
What are the key properties of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 395.36 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 55733335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).