5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one

C14H11ClN2O2 — CID 3061795

IUPAC5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H11ClN2O2/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyNQCYURBIJNZMEG-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.98
Rot. Bonds2

About 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one

5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 3061795) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one
PubChem CID3061795
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H11ClN2O2/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyNQCYURBIJNZMEG-UHFFFAOYSA-N
XLogP2.98
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one (CID 3061795) is 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one is COc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is NQCYURBIJNZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one?
5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 274.71 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 3061795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).