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

C12H11N3O2S — CID 116867771

IUPAC5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(CCO)n3)cc2[nH]1
InChIInChI=1S/C12H11N3O2S/c16-4-3-11-13-10(6-18-11)7-1-2-8-9(5-7)15-12(17)14-8/h1-2,5-6,16H,3-4H2,(H2,14,15,17)
InChIKeyLZSJSGWYXMZXEO-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.51
Rot. Bonds3

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

5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116867771) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116867771
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(CCO)n3)cc2[nH]1
InChIInChI=1S/C12H11N3O2S/c16-4-3-11-13-10(6-18-11)7-1-2-8-9(5-7)15-12(17)14-8/h1-2,5-6,16H,3-4H2,(H2,14,15,17)
InChIKeyLZSJSGWYXMZXEO-UHFFFAOYSA-N
XLogP1.51
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71870436
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116892313
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24505655

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 116867771) is 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(CCO)n3)cc2[nH]1.
What is the InChIKey of 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LZSJSGWYXMZXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-4-3-11-13-10(6-18-11)7-1-2-8-9(5-7)15-12(17)14-8/h1-2,5-6,16H,3-4H2,(H2,14,15,17).
What are the key properties of 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116867771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).