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

C14H15N3O2S — CID 71870436

IUPAC5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCOC(C)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C14H15N3O2S/c1-3-19-8(2)13-15-12(7-20-13)9-4-5-10-11(6-9)17-14(18)16-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyPJFJFCVYLIXTCD-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.08
Rot. Bonds4

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

5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 71870436) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID71870436
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCOC(C)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C14H15N3O2S/c1-3-19-8(2)13-15-12(7-20-13)9-4-5-10-11(6-9)17-14(18)16-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyPJFJFCVYLIXTCD-UHFFFAOYSA-N
XLogP3.08
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 71870436) is 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is CCOC(C)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PJFJFCVYLIXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-19-8(2)13-15-12(7-20-13)9-4-5-10-11(6-9)17-14(18)16-10/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 289.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71870436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).