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

C14H13F2N3S — CID 115582415

IUPAC4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2cnc3cc(F)c(F)cc32)cs1
InChIInChI=1S/C14H13F2N3S/c1-2-3-14-18-9(7-20-14)6-19-8-17-12-4-10(15)11(16)5-13(12)19/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOABQSIFKQMTUEM-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.77
Rot. Bonds4

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

4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole (PubChem CID 115582415) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole
PubChem CID115582415
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2cnc3cc(F)c(F)cc32)cs1
InChIInChI=1S/C14H13F2N3S/c1-2-3-14-18-9(7-20-14)6-19-8-17-12-4-10(15)11(16)5-13(12)19/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOABQSIFKQMTUEM-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole (CID 115582415) is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole is CCCc1nc(Cn2cnc3cc(F)c(F)cc32)cs1.
What is the InChIKey of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The InChIKey is OABQSIFKQMTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c1-2-3-14-18-9(7-20-14)6-19-8-17-12-4-10(15)11(16)5-13(12)19/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole?
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole has a molecular weight of 293.34 g/mol, XLogP of 3.77, 4 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-propyl-1,3-thiazole is sourced from PubChem (CID 115582415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).