5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

C14H11ClN2O2 — CID 117208257

IUPAC5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1ccccc1O
InChIInChI=1S/C14H11ClN2O2/c15-10-5-6-11-12(7-10)17(14(19)16-11)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyNRNOAPOYTZKVAP-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.74
Rot. Bonds2

About 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208257) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117208257
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1ccccc1O
InChIInChI=1S/C14H11ClN2O2/c15-10-5-6-11-12(7-10)17(14(19)16-11)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyNRNOAPOYTZKVAP-UHFFFAOYSA-N
XLogP2.74
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (CID 117208257) is 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1Cc1ccccc1O.
What is the InChIKey of 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is NRNOAPOYTZKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-10-5-6-11-12(7-10)17(14(19)16-11)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 274.71 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).