5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one

C13H16ClN3O — CID 117207957

IUPAC5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCCN1CCCC1n1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-2-16-7-3-4-12(16)17-11-8-9(14)5-6-10(11)15-13(17)18/h5-6,8,12H,2-4,7H2,1H3,(H,15,18)
InChIKeyHJCOWKKFVFKSIJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.60
Rot. Bonds2

About 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one

5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117207957) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117207957
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCCN1CCCC1n1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-2-16-7-3-4-12(16)17-11-8-9(14)5-6-10(11)15-13(17)18/h5-6,8,12H,2-4,7H2,1H3,(H,15,18)
InChIKeyHJCOWKKFVFKSIJ-UHFFFAOYSA-N
XLogP2.60
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione
CID 54194858
5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one
CID 117208083
7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206368
3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206387
5-chloro-3-(1,1-dioxothian-3-yl)-1H-benzimidazol-2-one
CID 117207903
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206342
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
5-chloro-3-(2-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 113316105
5-chloro-3-[1-[3-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 91337160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one (CID 117207957) is 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one is CCN1CCCC1n1c(=O)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is HJCOWKKFVFKSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-16-7-3-4-12(16)17-11-8-9(14)5-6-10(11)15-13(17)18/h5-6,8,12H,2-4,7H2,1H3,(H,15,18).
What are the key properties of 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).