[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone

C18H13N3O2 — CID 8834720

IUPAC[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1c[nH]c(-c2nc3ccccc3[nH]2)c1)c1ccccc1O
InChIInChI=1S/C18H13N3O2/c22-16-8-4-1-5-12(16)17(23)11-9-15(19-10-11)18-20-13-6-2-3-7-14(13)21-18/h1-10,19,22H,(H,20,21)
InChIKeyUPECVDFKNAXFLI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.49
Rot. Bonds3

About [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone

[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone (PubChem CID 8834720) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone
PubChem CID8834720
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1c[nH]c(-c2nc3ccccc3[nH]2)c1)c1ccccc1O
InChIInChI=1S/C18H13N3O2/c22-16-8-4-1-5-12(16)17(23)11-9-15(19-10-11)18-20-13-6-2-3-7-14(13)21-18/h1-10,19,22H,(H,20,21)
InChIKeyUPECVDFKNAXFLI-UHFFFAOYSA-N
XLogP3.49
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone (CID 8834720) is [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone is O=C(c1c[nH]c(-c2nc3ccccc3[nH]2)c1)c1ccccc1O.
What is the InChIKey of [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is UPECVDFKNAXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-16-8-4-1-5-12(16)17(23)11-9-15(19-10-11)18-20-13-6-2-3-7-14(13)21-18/h1-10,19,22H,(H,20,21).
What are the key properties of [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone?
[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 303.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 8834720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).