5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C19H16FN3O3S — CID 118305944

IUPAC5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCCOc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C19H16FN3O3S/c1-25-6-7-26-17-9-12(20)3-4-13(17)18-21-16(10-27-18)11-2-5-14-15(8-11)23-19(24)22-14/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24)
InChIKeyHZRHRUSGGYDXPN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.81
Rot. Bonds6

About 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 118305944) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID118305944
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCCOc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C19H16FN3O3S/c1-25-6-7-26-17-9-12(20)3-4-13(17)18-21-16(10-27-18)11-2-5-14-15(8-11)23-19(24)22-14/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24)
InChIKeyHZRHRUSGGYDXPN-UHFFFAOYSA-N
XLogP3.81
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 118305944) is 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is COCCOc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HZRHRUSGGYDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-25-6-7-26-17-9-12(20)3-4-13(17)18-21-16(10-27-18)11-2-5-14-15(8-11)23-19(24)22-14/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24).
What are the key properties of 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 385.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 118305944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).