6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one

C11H9N3O — CID 74643944

IUPAC6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(n3cccc3)C=C2N1
InChIInChI=1S/C11H9N3O/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-8H,(H,13,15)
InChIKeySRRIZCYXHILNFD-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.65
Rot. Bonds1

About 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one

6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one (PubChem CID 74643944) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
PubChem CID74643944
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(n3cccc3)C=C2N1
InChIInChI=1S/C11H9N3O/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-8H,(H,13,15)
InChIKeySRRIZCYXHILNFD-UHFFFAOYSA-N
XLogP1.65
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
6-[(1S,5R)-8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 169489633
2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
CID 71651743
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
CID 155295276
6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one
CID 169489682
6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one
CID 169489615
5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
CID 71303716
3-chloro-N-[(4-fluorophenyl)methyl]-2-methyl-N-(2-oxo-3,5-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 169423122
5-cyclopropyl-N-[(1S,5R)-8-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 154826503
1H-thieno[3,4-d]imidazole-2,4-dione
CID 21292269
7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304011
7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304027

Frequently Asked Questions

What is the IUPAC name of 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one (CID 74643944) is 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(n3cccc3)C=C2N1.
What is the InChIKey of 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one?
The InChIKey is SRRIZCYXHILNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-8H,(H,13,15).
What are the key properties of 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one?
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one has a molecular weight of 199.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 74643944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).