[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol

C19H18N4O3 — CID 136960125

IUPAC[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C19H18N4O3/c1-26-18-7-11(6-12(9-24)13(18)10-25)16-8-17(23-22-16)19-20-14-4-2-3-5-15(14)21-19/h2-8,24-25H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyNIEHRIBBIYUEEB-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.61
Rot. Bonds5

About [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol

[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (PubChem CID 136960125) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
PubChem CID136960125
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C19H18N4O3/c1-26-18-7-11(6-12(9-24)13(18)10-25)16-8-17(23-22-16)19-20-14-4-2-3-5-15(14)21-19/h2-8,24-25H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyNIEHRIBBIYUEEB-UHFFFAOYSA-N
XLogP2.61
TPSA107.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The IUPAC name of [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (CID 136960125) is [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.
What is the SMILES notation for [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The canonical SMILES for [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is COc1cc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc(CO)c1CO.
What is the InChIKey of [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The InChIKey is NIEHRIBBIYUEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-18-7-11(6-12(9-24)13(18)10-25)16-8-17(23-22-16)19-20-14-4-2-3-5-15(14)21-19/h2-8,24-25H,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol has a molecular weight of 350.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is sourced from PubChem (CID 136960125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).