6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one

C15H10N4OS — CID 57223334

IUPAC6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccc3c(c2)ncn3-c2ccsc2)[nH]1
InChIInChI=1S/C15H10N4OS/c20-15-16-5-3-12(18-15)10-1-2-14-13(7-10)17-9-19(14)11-4-6-21-8-11/h1-9H,(H,16,18,20)
InChIKeyAWSQLFWNOMQLBU-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.84
Rot. Bonds2

About 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one

6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 57223334) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one
PubChem CID57223334
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccc3c(c2)ncn3-c2ccsc2)[nH]1
InChIInChI=1S/C15H10N4OS/c20-15-16-5-3-12(18-15)10-1-2-14-13(7-10)17-9-19(14)11-4-6-21-8-11/h1-9H,(H,16,18,20)
InChIKeyAWSQLFWNOMQLBU-UHFFFAOYSA-N
XLogP2.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414229
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414206
1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414257
1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 54028630
1-azabicyclo[3.1.0]hexane;1-ethyl-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyridin-2-one
CID 18414265
5-(3H-benzimidazol-5-yl)-1-pyridin-4-ylbenzimidazole
CID 154145940
6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
CID 123297438
1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole
CID 58349870
3-[5-(furan-3-yl)benzimidazol-1-yl]phenol
CID 70101805
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide
CID 126648413

Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one (CID 57223334) is 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one is O=c1nccc(-c2ccc3c(c2)ncn3-c2ccsc2)[nH]1.
What is the InChIKey of 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is AWSQLFWNOMQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c20-15-16-5-3-12(18-15)10-1-2-14-13(7-10)17-9-19(14)11-4-6-21-8-11/h1-9H,(H,16,18,20).
What are the key properties of 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one?
6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 294.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 57223334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).