4-bromo-3-cyclopropyl-1H-benzimidazol-2-one

C10H9BrN2O — CID 83843837

IUPAC4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Br)c2n1C1CC1
InChIInChI=1S/C10H9BrN2O/c11-7-2-1-3-8-9(7)13(6-4-5-6)10(14)12-8/h1-3,6H,4-5H2,(H,12,14)
InChIKeyWWQRTVAAPUVILD-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.43
Rot. Bonds1

About 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one

4-bromo-3-cyclopropyl-1H-benzimidazol-2-one (PubChem CID 83843837) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
PubChem CID83843837
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Br)c2n1C1CC1
InChIInChI=1S/C10H9BrN2O/c11-7-2-1-3-8-9(7)13(6-4-5-6)10(14)12-8/h1-3,6H,4-5H2,(H,12,14)
InChIKeyWWQRTVAAPUVILD-UHFFFAOYSA-N
XLogP2.43
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-cyclopropyl-1H-benzimidazol-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 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one (CID 83843837) is 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one is O=c1[nH]c2cccc(Br)c2n1C1CC1.
What is the InChIKey of 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one?
The InChIKey is WWQRTVAAPUVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-7-2-1-3-8-9(7)13(6-4-5-6)10(14)12-8/h1-3,6H,4-5H2,(H,12,14).
What are the key properties of 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one?
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one has a molecular weight of 253.10 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopropyl-1H-benzimidazol-2-one is sourced from PubChem (CID 83843837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).