5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C18H15N3O2S — CID 17483715

IUPAC5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1
InChIInChI=1S/C18H15N3O2S/c1-2-23-13-6-3-11(4-7-13)17-19-16(10-24-17)12-5-8-14-15(9-12)21-18(22)20-14/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyJLXIQNXVICPWCG-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.05
Rot. Bonds4

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

5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 17483715) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID17483715
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1
InChIInChI=1S/C18H15N3O2S/c1-2-23-13-6-3-11(4-7-13)17-19-16(10-24-17)12-5-8-14-15(9-12)21-18(22)20-14/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyJLXIQNXVICPWCG-UHFFFAOYSA-N
XLogP4.05
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137639363
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CID 137652702
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CID 137661741
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CID 168292655
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CID 28026080
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CID 24804908
CID 24804908

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 17483715) is 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1.
What is the InChIKey of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JLXIQNXVICPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-2-23-13-6-3-11(4-7-13)17-19-16(10-24-17)12-5-8-14-15(9-12)21-18(22)20-14/h3-10H,2H2,1H3,(H2,20,21,22).
What are the key properties of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 17483715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).