5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one

C10H12BrN3O — CID 83903349

IUPAC5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(CN)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H12BrN3O/c1-5(4-12)6-2-8-9(3-7(6)11)14-10(15)13-8/h2-3,5H,4,12H2,1H3,(H2,13,14,15)
InChIKeyJGRQNXUAJCDXSJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.68
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one

5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 83903349) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID83903349
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(CN)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H12BrN3O/c1-5(4-12)6-2-8-9(3-7(6)11)14-10(15)13-8/h2-3,5H,4,12H2,1H3,(H2,13,14,15)
InChIKeyJGRQNXUAJCDXSJ-UHFFFAOYSA-N
XLogP1.68
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 83903349) is 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one is CC(CN)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JGRQNXUAJCDXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-5(4-12)6-2-8-9(3-7(6)11)14-10(15)13-8/h2-3,5H,4,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 83903349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).