4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one

C11H12BrN3O — CID 84642973

IUPAC4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Br)c2n1C1CCNC1
InChIInChI=1S/C11H12BrN3O/c12-8-2-1-3-9-10(8)15(11(16)14-9)7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,16)
InChIKeyPSLONMCYQQBATJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.63
Rot. Bonds1

About 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one

4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one (PubChem CID 84642973) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
PubChem CID84642973
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Br)c2n1C1CCNC1
InChIInChI=1S/C11H12BrN3O/c12-8-2-1-3-9-10(8)15(11(16)14-9)7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,16)
InChIKeyPSLONMCYQQBATJ-UHFFFAOYSA-N
XLogP1.63
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
CID 22928768
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
3-acetyl-4-bromo-1H-benzimidazol-2-one
CID 18449361
5-fluoro-3-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazol-2-one;hydrochloride
CID 172968627
7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
CID 84815254
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
CID 54248728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one (CID 84642973) is 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one is O=c1[nH]c2cccc(Br)c2n1C1CCNC1.
What is the InChIKey of 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one?
The InChIKey is PSLONMCYQQBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-2-1-3-9-10(8)15(11(16)14-9)7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,16).
What are the key properties of 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one?
4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one has a molecular weight of 282.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 84642973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).