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

C14H9N3OS2 — CID 17459406

IUPAC5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2[nH]1
InChIInChI=1S/C14H9N3OS2/c18-14-16-10-2-1-8(5-11(10)17-14)12-7-20-13(15-12)9-3-4-19-6-9/h1-7H,(H2,16,17,18)
InChIKeyWNNPOHMOKKSUKE-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.71
Rot. Bonds2

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

5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 17459406) has the molecular formula C14H9N3OS2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID17459406
Molecular FormulaC14H9N3OS2
Molecular Weight299.38 g/mol
Exact Mass299.02
IUPAC Name5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2[nH]1
InChIInChI=1S/C14H9N3OS2/c18-14-16-10-2-1-8(5-11(10)17-14)12-7-20-13(15-12)9-3-4-19-6-9/h1-7H,(H2,16,17,18)
InChIKeyWNNPOHMOKKSUKE-UHFFFAOYSA-N
XLogP3.71
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73211783
N-(4-methylphenyl)-N'-[4-(5-methyl-2-thienyl)-1,3-thiazol-2-yl]urea
CID 1223803
3-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 73387296
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
CID 2738843
3-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 118707618
5-[2-(Cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 30330280
5-(2-Methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 30330205
5-(2-Aminothiazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 16642984
1-(3,5-Dimethylphenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 2738842
4-((4-(thiophen-2-yl)thiazol-2-yl)methyl)-N-(m-tolyl)piperazine-1-carboxamide
CID 30868844
1-(2-(2-Methylthiazol-4-yl)phenyl)-3-(thiophen-2-ylmethyl)urea
CID 76150646
5-[2-(1-Piperidyl)thiazol-4-yl]-1H-benzo[d]imidazol-2(3H)-one
CID 17436336

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 17459406) is 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2[nH]1.
What is the InChIKey of 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WNNPOHMOKKSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS2/c18-14-16-10-2-1-8(5-11(10)17-14)12-7-20-13(15-12)9-3-4-19-6-9/h1-7H,(H2,16,17,18).
What are the key properties of 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 299.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 17459406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).