6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one

C12H10FN3OS — CID 110491156

IUPAC6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1cnc(Cn2c(=O)[nH]c3cc(F)ccc32)s1
InChIInChI=1S/C12H10FN3OS/c1-7-5-14-11(18-7)6-16-10-3-2-8(13)4-9(10)15-12(16)17/h2-5H,6H2,1H3,(H,15,17)
InChIKeyDODGXIAMXKEYAY-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.28
Rot. Bonds2

About 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one

6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 110491156) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one
PubChem CID110491156
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1cnc(Cn2c(=O)[nH]c3cc(F)ccc32)s1
InChIInChI=1S/C12H10FN3OS/c1-7-5-14-11(18-7)6-16-10-3-2-8(13)4-9(10)15-12(16)17/h2-5H,6H2,1H3,(H,15,17)
InChIKeyDODGXIAMXKEYAY-UHFFFAOYSA-N
XLogP2.28
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one (CID 110491156) is 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one is Cc1cnc(Cn2c(=O)[nH]c3cc(F)ccc32)s1.
What is the InChIKey of 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is DODGXIAMXKEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-7-5-14-11(18-7)6-16-10-3-2-8(13)4-9(10)15-12(16)17/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one?
6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110491156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).