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

C18H15FN4O2 — CID 136960134

IUPAC[3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyPUOASJSYBRNBEY-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.26
Rot. Bonds4

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

[3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol (PubChem CID 136960134) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
PubChem CID136960134
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name[3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyPUOASJSYBRNBEY-UHFFFAOYSA-N
XLogP3.26
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 168281162
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 137002135
6-(2-methoxy-hydroxyphenyl)-3-1H-benzoimidazol-2-yl-1H-indazole
CID 136164945
3-1H-Benzoimidazol-2-yl-6-(2-(hydroxymethyl)-5-methoxy-4-hydroxy-phenyl)-1H-indazole
CID 136164953
2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2303842
4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 4069724
6-fluoro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
CID 122189099
4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol
CID 135966068
2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluoro-1H-benzo[d]imidazole
CID 136929684
6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929765
Spen-IN-1
CID 162679641

Frequently Asked Questions

What is the IUPAC name of [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol (CID 136960134) is [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol is COc1cc(CO)cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c1.
What is the InChIKey of [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The InChIKey is PUOASJSYBRNBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
[3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol has a molecular weight of 338.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 136960134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).