[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol

C19H17FN4O3 — CID 136960132

IUPAC[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C19H17FN4O3/c1-27-18-5-10(4-11(8-25)13(18)9-26)15-7-17(24-23-15)19-21-14-3-2-12(20)6-16(14)22-19/h2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyOIBAEIYWFSLHGW-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.75
Rot. Bonds5

About [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol

[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (PubChem CID 136960132) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
PubChem CID136960132
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C19H17FN4O3/c1-27-18-5-10(4-11(8-25)13(18)9-26)15-7-17(24-23-15)19-21-14-3-2-12(20)6-16(14)22-19/h2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyOIBAEIYWFSLHGW-UHFFFAOYSA-N
XLogP2.75
TPSA107.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The IUPAC name of [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (CID 136960132) is [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.
What is the SMILES notation for [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The canonical SMILES for [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is COc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(CO)c1CO.
What is the InChIKey of [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The InChIKey is OIBAEIYWFSLHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-18-5-10(4-11(8-25)13(18)9-26)15-7-17(24-23-15)19-21-14-3-2-12(20)6-16(14)22-19/h2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol has a molecular weight of 368.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is sourced from PubChem (CID 136960132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).