2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone

C18H13ClN4O2 — CID 165000141

IUPAC2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone
SMILESO=C(Cc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H13ClN4O2/c19-12-7-10(5-6-16(12)24)17(25)9-11-8-15(23-22-11)18-20-13-3-1-2-4-14(13)21-18/h1-8,24H,9H2,(H,20,21)(H,22,23)
InChIKeyIDEXEYLHBMBVOM-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.74
Rot. Bonds4

About 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone

2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone (PubChem CID 165000141) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone
PubChem CID165000141
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone
SMILESO=C(Cc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H13ClN4O2/c19-12-7-10(5-6-16(12)24)17(25)9-11-8-15(23-22-11)18-20-13-3-1-2-4-14(13)21-18/h1-8,24H,9H2,(H,20,21)(H,22,23)
InChIKeyIDEXEYLHBMBVOM-UHFFFAOYSA-N
XLogP3.74
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone (CID 165000141) is 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone is O=C(Cc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone?
The InChIKey is IDEXEYLHBMBVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-12-7-10(5-6-16(12)24)17(25)9-11-8-15(23-22-11)18-20-13-3-1-2-4-14(13)21-18/h1-8,24H,9H2,(H,20,21)(H,22,23).
What are the key properties of 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone?
2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone has a molecular weight of 352.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1-(3-chloro-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 165000141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).