5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione

C13H14N4O3 — CID 22295579

IUPAC5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC1N(C)c2ccccc2N1c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-7-16(2)8-5-3-4-6-9(8)17(7)10-11(18)14-13(20)15-12(10)19/h3-7H,1-2H3,(H3,14,15,18,19,20)
InChIKeyCHGZAYDSVKZAJT-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.70
Rot. Bonds1

About 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione

5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 22295579) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID22295579
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC1N(C)c2ccccc2N1c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-7-16(2)8-5-3-4-6-9(8)17(7)10-11(18)14-13(20)15-12(10)19/h3-7H,1-2H3,(H3,14,15,18,19,20)
InChIKeyCHGZAYDSVKZAJT-UHFFFAOYSA-N
XLogP0.70
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione (CID 22295579) is 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione is CC1N(C)c2ccccc2N1c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is CHGZAYDSVKZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-16(2)8-5-3-4-6-9(8)17(7)10-11(18)14-13(20)15-12(10)19/h3-7H,1-2H3,(H3,14,15,18,19,20).
What are the key properties of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione?
5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22295579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).