5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one

C12H15BrN2O2 — CID 62373578

IUPAC5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H15BrN2O2/c1-6(2)3-11(16)7-4-9-10(5-8(7)13)15-12(17)14-9/h4-6,11,16H,3H2,1-2H3,(H2,14,15,17)
InChIKeyUFUQNJFGMWXJOD-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.70
Rot. Bonds3

About 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 62373578) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID62373578
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H15BrN2O2/c1-6(2)3-11(16)7-4-9-10(5-8(7)13)15-12(17)14-9/h4-6,11,16H,3H2,1-2H3,(H2,14,15,17)
InChIKeyUFUQNJFGMWXJOD-UHFFFAOYSA-N
XLogP2.70
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1,3-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)benzimidazol-2-one
CID 55063357
5-[(2-Bromo-4-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61086958
5-(3,3,3-Trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one
CID 61087136
5-[(5-Bromo-2-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61087692
5-[(4-Bromo-2-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61087694
5-[(3-Bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61088636
5-[(2-Bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61088823
5-[(4-Bromo-3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61702830
5-Bromo-1,3-dimethyl-6-(3,3,3-trifluoro-1-hydroxypropyl)benzimidazol-2-one
CID 62352040
5-Bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 62373413
5-Bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
CID 62373414
5-Bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 62373415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one (CID 62373578) is 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one is CC(C)CC(O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UFUQNJFGMWXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-6(2)3-11(16)7-4-9-10(5-8(7)13)15-12(17)14-9/h4-6,11,16H,3H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62373578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).