4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole

C18H13F2N3O2S — CID 141185167

IUPAC4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole
SMILESCOc1cc2ncn(-c3nc(-c4ccc(F)c(F)c4)cs3)c2cc1OC
InChIInChI=1S/C18H13F2N3O2S/c1-24-16-6-13-15(7-17(16)25-2)23(9-21-13)18-22-14(8-26-18)10-3-4-11(19)12(20)5-10/h3-9H,1-2H3
InChIKeyHEWLJJFFWXMAAH-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.44
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole

4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole (PubChem CID 141185167) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole
PubChem CID141185167
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC Name4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole
SMILESCOc1cc2ncn(-c3nc(-c4ccc(F)c(F)c4)cs3)c2cc1OC
InChIInChI=1S/C18H13F2N3O2S/c1-24-16-6-13-15(7-17(16)25-2)23(9-21-13)18-22-14(8-26-18)10-3-4-11(19)12(20)5-10/h3-9H,1-2H3
InChIKeyHEWLJJFFWXMAAH-UHFFFAOYSA-N
XLogP4.44
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole (CID 141185167) is 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole is COc1cc2ncn(-c3nc(-c4ccc(F)c(F)c4)cs3)c2cc1OC.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole?
The InChIKey is HEWLJJFFWXMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c1-24-16-6-13-15(7-17(16)25-2)23(9-21-13)18-22-14(8-26-18)10-3-4-11(19)12(20)5-10/h3-9H,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole?
4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole has a molecular weight of 373.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 141185167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).