6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

C14H11ClN2O2 — CID 117207536

IUPAC6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1Cc1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O2/c15-10-3-6-13-12(7-10)16-14(19)17(13)8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,16,19)
InChIKeyCPMKEXHAGGZBIJ-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.74
Rot. Bonds2

About 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117207536) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117207536
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1Cc1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O2/c15-10-3-6-13-12(7-10)16-14(19)17(13)8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,16,19)
InChIKeyCPMKEXHAGGZBIJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (CID 117207536) is 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)ccc2n1Cc1ccc(O)cc1.
What is the InChIKey of 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is CPMKEXHAGGZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-10-3-6-13-12(7-10)16-14(19)17(13)8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,16,19).
What are the key properties of 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
6-chloro-3-[(4-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 6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).