5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one

C12H16BrN3O — CID 55068698

IUPAC5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(N)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H16BrN3O/c1-12(2,3)10(14)6-4-8-9(5-7(6)13)16-11(17)15-8/h4-5,10H,14H2,1-3H3,(H2,15,16,17)
InChIKeyWMNQSCAWODZDMS-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.66
Rot. Bonds1

About 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one

5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 55068698) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID55068698
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(N)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H16BrN3O/c1-12(2,3)10(14)6-4-8-9(5-7(6)13)16-11(17)15-8/h4-5,10H,14H2,1-3H3,(H2,15,16,17)
InChIKeyWMNQSCAWODZDMS-UHFFFAOYSA-N
XLogP2.66
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 55068698) is 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one is CC(C)(C)C(N)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WMNQSCAWODZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-12(2,3)10(14)6-4-8-9(5-7(6)13)16-11(17)15-8/h4-5,10H,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 298.18 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2-dimethylpropyl)-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55068698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).