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

C10H13BrN4O — CID 103388874

IUPAC5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(CN)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H13BrN4O/c1-5(4-12)13-7-3-9-8(2-6(7)11)14-10(16)15-9/h2-3,5,13H,4,12H2,1H3,(H2,14,15,16)
InChIKeyXLKLZMSVWUUVIY-UHFFFAOYSA-N
MW285.15 g/mol
LogP1.38
Rot. Bonds3

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

5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 103388874) has the molecular formula C10H13BrN4O and a molecular weight of 285.15 g/mol. Its IUPAC name is 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID103388874
Molecular FormulaC10H13BrN4O
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(CN)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H13BrN4O/c1-5(4-12)13-7-3-9-8(2-6(7)11)14-10(16)15-9/h2-3,5,13H,4,12H2,1H3,(H2,14,15,16)
InChIKeyXLKLZMSVWUUVIY-UHFFFAOYSA-N
XLogP1.38
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790093
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741294
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 79541568
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 54996085
5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 107354209
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741369
2-N-(2,4-dibromophenyl)propane-1,2-diamine
CID 103388120
5-bromo-6-(1-pyridin-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741344
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 103388874) is 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one is CC(CN)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XLKLZMSVWUUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-5(4-12)13-7-3-9-8(2-6(7)11)14-10(16)15-9/h2-3,5,13H,4,12H2,1H3,(H2,14,15,16).
What are the key properties of 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103388874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).