5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one

C10H8BrFN2O — CID 177301925

IUPAC5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(Br)cc2n1C1CC1
InChIInChI=1S/C10H8BrFN2O/c11-6-3-9-8(4-7(6)12)13-10(15)14(9)5-1-2-5/h3-5H,1-2H2,(H,13,15)
InChIKeyYMJAOURDHGDRIW-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.57
Rot. Bonds1

About 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one

5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one (PubChem CID 177301925) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
PubChem CID177301925
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(Br)cc2n1C1CC1
InChIInChI=1S/C10H8BrFN2O/c11-6-3-9-8(4-7(6)12)13-10(15)14(9)5-1-2-5/h3-5H,1-2H2,(H,13,15)
InChIKeyYMJAOURDHGDRIW-UHFFFAOYSA-N
XLogP2.57
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-cyclopropyl-6-fluoro-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

Related Compounds

3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
5-bromo-6-fluoro-3-(4-hydroxycyclohexyl)-1H-benzimidazole-2-thione
CID 104966779
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
tert-butyl 3-(6-bromo-5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 155348177
5-bromo-3-(1,1-dioxothian-3-yl)-6-fluoro-1H-benzimidazole-2-thione
CID 116737735
6-bromo-3-cyclohexyl-5-fluoro-1H-benzimidazole-2-thione
CID 66087816
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
CID 118209242
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one (CID 177301925) is 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)c(Br)cc2n1C1CC1.
What is the InChIKey of 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one?
The InChIKey is YMJAOURDHGDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-6-3-9-8(4-7(6)12)13-10(15)14(9)5-1-2-5/h3-5H,1-2H2,(H,13,15).
What are the key properties of 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one?
5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one has a molecular weight of 271.09 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 177301925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).