5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

C10H11BrN2O2 — CID 82758247

IUPAC5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC[C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H11BrN2O2/c1-2-9(14)5-3-7-8(4-6(5)11)13-10(15)12-7/h3-4,9,14H,2H2,1H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyIYNZIDQANDZXGR-VIFPVBQESA-N
MW271.11 g/mol
LogP2.06
Rot. Bonds2

About 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 82758247) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID82758247
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC[C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H11BrN2O2/c1-2-9(14)5-3-7-8(4-6(5)11)13-10(15)12-7/h3-4,9,14H,2H2,1H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyIYNZIDQANDZXGR-VIFPVBQESA-N
XLogP2.06
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (CID 82758247) is 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is CC[C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IYNZIDQANDZXGR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-2-9(14)5-3-7-8(4-6(5)11)13-10(15)12-7/h3-4,9,14H,2H2,1H3,(H2,12,13,15)/t9-/m0/s1.
What are the key properties of 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 271.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82758247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).