5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one

C11H9N3O2S — CID 116891819

IUPAC5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C11H9N3O2S/c1-16-9-5-17-10(14-9)6-2-3-7-8(4-6)13-11(15)12-7/h2-5H,1H3,(H2,12,13,15)
InChIKeyBDFUFSZMMQGHPV-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.99
Rot. Bonds2

About 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one

5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116891819) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116891819
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C11H9N3O2S/c1-16-9-5-17-10(14-9)6-2-3-7-8(4-6)13-11(15)12-7/h2-5H,1H3,(H2,12,13,15)
InChIKeyBDFUFSZMMQGHPV-UHFFFAOYSA-N
XLogP1.99
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116892313
4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 159193486
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73387404
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71870436
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116891814
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116867771
3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638610

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 116891819) is 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one is COc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BDFUFSZMMQGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-16-9-5-17-10(14-9)6-2-3-7-8(4-6)13-11(15)12-7/h2-5H,1H3,(H2,12,13,15).
What are the key properties of 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116891819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).