[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol

C18H15FN4O2 — CID 136960133

IUPAC[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1-c1cc(-c2nc3ccc(F)cc3[nH]2)[nH]n1
InChIInChI=1S/C18H15FN4O2/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMQAZFQFEKDRTCI-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.26
Rot. Bonds4

About [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol

[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol (PubChem CID 136960133) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol
PubChem CID136960133
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1-c1cc(-c2nc3ccc(F)cc3[nH]2)[nH]n1
InChIInChI=1S/C18H15FN4O2/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMQAZFQFEKDRTCI-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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Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol (CID 136960133) is [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1-c1cc(-c2nc3ccc(F)cc3[nH]2)[nH]n1.
What is the InChIKey of [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol?
The InChIKey is MQAZFQFEKDRTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol?
[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-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 [4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol is sourced from PubChem (CID 136960133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).