5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C16H15BrN4O5 — CID 102190635

IUPAC5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H15BrN4O5/c17-7-1-2-9-10(3-7)19-14(18-9)8-5-21(16(25)20-15(8)24)13-4-11(23)12(6-22)26-13/h1-3,5,11-13,22-23H,4,6H2,(H,18,19)(H,20,24,25)
InChIKeyBYZWMXDSHYFUCM-UHFFFAOYSA-N
MW423.22 g/mol
LogP0.48
Rot. Bonds3

About 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 102190635) has the molecular formula C16H15BrN4O5 and a molecular weight of 423.22 g/mol. Its IUPAC name is 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID102190635
Molecular FormulaC16H15BrN4O5
Molecular Weight423.22 g/mol
Exact Mass422.02
IUPAC Name5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H15BrN4O5/c17-7-1-2-9-10(3-7)19-14(18-9)8-5-21(16(25)20-15(8)24)13-4-11(23)12(6-22)26-13/h1-3,5,11-13,22-23H,4,6H2,(H,18,19)(H,20,24,25)
InChIKeyBYZWMXDSHYFUCM-UHFFFAOYSA-N
XLogP0.48
TPSA133.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 102190635) is 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BYZWMXDSHYFUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O5/c17-7-1-2-9-10(3-7)19-14(18-9)8-5-21(16(25)20-15(8)24)13-4-11(23)12(6-22)26-13/h1-3,5,11-13,22-23H,4,6H2,(H,18,19)(H,20,24,25).
What are the key properties of 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 423.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-1H-benzimidazol-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102190635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).