3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one

C16H10BrFN4O2 — CID 90726850

IUPAC3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)c(-c2cc(F)ccc2Br)n1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H10BrFN4O2/c17-11-3-1-8(18)5-10(11)14-15(23)21-16(24)22(14)9-2-4-12-13(6-9)20-7-19-12/h1-7,23H,(H,19,20)(H,21,24)
InChIKeyUTXWGUZATZPHRX-UHFFFAOYSA-N
MW389.18 g/mol
LogP3.32
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one

3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one (PubChem CID 90726850) has the molecular formula C16H10BrFN4O2 and a molecular weight of 389.18 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one
PubChem CID90726850
Molecular FormulaC16H10BrFN4O2
Molecular Weight389.18 g/mol
Exact Mass388.00
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)c(-c2cc(F)ccc2Br)n1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H10BrFN4O2/c17-11-3-1-8(18)5-10(11)14-15(23)21-16(24)22(14)9-2-4-12-13(6-9)20-7-19-12/h1-7,23H,(H,19,20)(H,21,24)
InChIKeyUTXWGUZATZPHRX-UHFFFAOYSA-N
XLogP3.32
TPSA86.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.18
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one (CID 90726850) is 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one is O=c1[nH]c(O)c(-c2cc(F)ccc2Br)n1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one?
The InChIKey is UTXWGUZATZPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4O2/c17-11-3-1-8(18)5-10(11)14-15(23)21-16(24)22(14)9-2-4-12-13(6-9)20-7-19-12/h1-7,23H,(H,19,20)(H,21,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one?
3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one has a molecular weight of 389.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 90726850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).