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

C20H19FN4O3 — CID 136960205

IUPAC[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C20H19FN4O3/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySFKBMQAILODCKP-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.06
Rot. Bonds5

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

[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (PubChem CID 136960205) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
PubChem CID136960205
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO
InChIInChI=1S/C20H19FN4O3/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySFKBMQAILODCKP-UHFFFAOYSA-N
XLogP3.06
TPSA107.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The IUPAC name of [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol (CID 136960205) is [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol.
What is the SMILES notation for [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The canonical SMILES for [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is COc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.
What is the InChIKey of [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
The InChIKey is SFKBMQAILODCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol?
[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol has a molecular weight of 382.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol is sourced from PubChem (CID 136960205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).