7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one

C13H16BrN3O — CID 117206368

IUPAC7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCCN1CCCC1n1c(=O)[nH]c2c(Br)cccc21
InChIInChI=1S/C13H16BrN3O/c1-2-16-8-4-7-11(16)17-10-6-3-5-9(14)12(10)15-13(17)18/h3,5-6,11H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyFWXOBSVGXHCEIH-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.71
Rot. Bonds2

About 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one

7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206368) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117206368
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCCN1CCCC1n1c(=O)[nH]c2c(Br)cccc21
InChIInChI=1S/C13H16BrN3O/c1-2-16-8-4-7-11(16)17-10-6-3-5-9(14)12(10)15-13(17)18/h3,5-6,11H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyFWXOBSVGXHCEIH-UHFFFAOYSA-N
XLogP2.71
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3-(1-ethylpyrrolidin-2-yl)-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-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206387
5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117207957
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206376
7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206305
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
7-bromo-3-(2-methylpropyl)-1H-benzimidazol-2-one
CID 102136451
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206342
7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54340518
7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one
CID 117206373

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one (CID 117206368) is 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one is CCN1CCCC1n1c(=O)[nH]c2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is FWXOBSVGXHCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-16-8-4-7-11(16)17-10-6-3-5-9(14)12(10)15-13(17)18/h3,5-6,11H,2,4,7-8H2,1H3,(H,15,18).
What are the key properties of 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 310.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).