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

C19H17FN4O2 — CID 136960208

IUPAC[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C19H17FN4O2/c1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2/h3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZCUVWHCXRKYOLX-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.57
Rot. Bonds4

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

[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol (PubChem CID 136960208) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
PubChem CID136960208
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C19H17FN4O2/c1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2/h3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZCUVWHCXRKYOLX-UHFFFAOYSA-N
XLogP3.57
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.57
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
4-[[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]methyl]morpholine
CID 136387421
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 136387444
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 168281162
6-(2-methoxy-4-hydroxyphenyl)-3-1H-benzoimidazol-2-yl-1H-indazole
CID 135839295
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-1H-benzimidazole
CID 136325878
4-[[3-[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]phenyl]methyl]morpholine
CID 136325929
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 137002135
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol
CID 136115608
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

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol (CID 136960208) is [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol is COc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1.
What is the InChIKey of [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
The InChIKey is ZCUVWHCXRKYOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2/h3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol?
[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol has a molecular weight of 352.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 136960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).