4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine

C13H8N4S — CID 17417188

IUPAC4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc2c(c1)ncn2-c1ncnc2sccc12
InChIInChI=1S/C13H8N4S/c1-2-4-11-10(3-1)16-8-17(11)12-9-5-6-18-13(9)15-7-14-12/h1-8H
InChIKeyXUTUJJHHJFFJCL-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.03
Rot. Bonds1

About 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine

4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 17417188) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
PubChem CID17417188
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc2c(c1)ncn2-c1ncnc2sccc12
InChIInChI=1S/C13H8N4S/c1-2-4-11-10(3-1)16-8-17(11)12-9-5-6-18-13(9)15-7-14-12/h1-8H
InChIKeyXUTUJJHHJFFJCL-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1069561
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 155942506
4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
CID 131207505
4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71226102
(6S)-4-(benzimidazol-1-yl)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 40597745
(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 97132639
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine (CID 17417188) is 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine is c1ccc2c(c1)ncn2-c1ncnc2sccc12.
What is the InChIKey of 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is XUTUJJHHJFFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c1-2-4-11-10(3-1)16-8-17(11)12-9-5-6-18-13(9)15-7-14-12/h1-8H.
What are the key properties of 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine?
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 252.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17417188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).