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

C10H12BrN3O — CID 43228606

IUPAC5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H12BrN3O/c1-5(2)12-7-4-9-8(3-6(7)11)13-10(15)14-9/h3-5,12H,1-2H3,(H2,13,14,15)
InChIKeyGSJOIAVNPWZOGG-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.44
Rot. Bonds2

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

5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43228606) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43228606
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H12BrN3O/c1-5(2)12-7-4-9-8(3-6(7)11)13-10(15)14-9/h3-5,12H,1-2H3,(H2,13,14,15)
InChIKeyGSJOIAVNPWZOGG-UHFFFAOYSA-N
XLogP2.44
TPSA60.68 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 ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (CID 43228606) is 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is CC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GSJOIAVNPWZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-5(2)12-7-4-9-8(3-6(7)11)13-10(15)14-9/h3-5,12H,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(propan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43228606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).