4-(1H-pyrrol-2-yl)benzimidazol-2-one

C11H7N3O — CID 141135866

IUPAC4-(1H-pyrrol-2-yl)benzimidazol-2-one
SMILESO=C1N=c2cccc(-c3ccc[nH]3)c2=N1
InChIInChI=1S/C11H7N3O/c15-11-13-9-4-1-3-7(10(9)14-11)8-5-2-6-12-8/h1-6,12H
InChIKeyNWZBEQBYDUOUKP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.05
Rot. Bonds1

About 4-(1H-pyrrol-2-yl)benzimidazol-2-one

4-(1H-pyrrol-2-yl)benzimidazol-2-one (PubChem CID 141135866) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(1H-pyrrol-2-yl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(1H-pyrrol-2-yl)benzimidazol-2-one
PubChem CID141135866
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name4-(1H-pyrrol-2-yl)benzimidazol-2-one
SMILESO=C1N=c2cccc(-c3ccc[nH]3)c2=N1
InChIInChI=1S/C11H7N3O/c15-11-13-9-4-1-3-7(10(9)14-11)8-5-2-6-12-8/h1-6,12H
InChIKeyNWZBEQBYDUOUKP-UHFFFAOYSA-N
XLogP1.05
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-1-ylbenzimidazol-2-one
CID 171482352
4-hydroxybenzimidazol-2-one
CID 135581587
3-(1H-pyrrol-2-yl)cyclobut-3-ene-1,2-dione
CID 90887214
7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
CID 16666857
4-bromobenzimidazol-2-one
CID 21434387
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694
3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
CID 91573710
2-(2-bromophenyl)-1H-pyrrole
CID 57266902
2-(3-chloro-2-fluorophenyl)-1H-pyrrole
CID 137332738
bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
CID 158725420
2-oxo-5-(1H-pyrrol-2-yl)chromene-4-carbaldehyde
CID 141074831

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-2-yl)benzimidazol-2-one?
The IUPAC name of 4-(1H-pyrrol-2-yl)benzimidazol-2-one (CID 141135866) is 4-(1H-pyrrol-2-yl)benzimidazol-2-one.
What is the SMILES notation for 4-(1H-pyrrol-2-yl)benzimidazol-2-one?
The canonical SMILES for 4-(1H-pyrrol-2-yl)benzimidazol-2-one is O=C1N=c2cccc(-c3ccc[nH]3)c2=N1.
What is the InChIKey of 4-(1H-pyrrol-2-yl)benzimidazol-2-one?
The InChIKey is NWZBEQBYDUOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-13-9-4-1-3-7(10(9)14-11)8-5-2-6-12-8/h1-6,12H.
What are the key properties of 4-(1H-pyrrol-2-yl)benzimidazol-2-one?
4-(1H-pyrrol-2-yl)benzimidazol-2-one has a molecular weight of 197.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-2-yl)benzimidazol-2-one is sourced from PubChem (CID 141135866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).