[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol

C19H15F3N4O2 — CID 136960157

IUPAC[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1cc(CO)ccc1-c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)[nH]n1
InChIInChI=1S/C19H15F3N4O2/c1-28-17-6-10(9-27)2-4-12(17)14-8-16(26-25-14)18-23-13-5-3-11(19(20,21)22)7-15(13)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyDZVQRIITPQNOHQ-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.14
Rot. Bonds4

About [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol

[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol (PubChem CID 136960157) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
PubChem CID136960157
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1cc(CO)ccc1-c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)[nH]n1
InChIInChI=1S/C19H15F3N4O2/c1-28-17-6-10(9-27)2-4-12(17)14-8-16(26-25-14)18-23-13-5-3-11(19(20,21)22)7-15(13)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyDZVQRIITPQNOHQ-UHFFFAOYSA-N
XLogP4.14
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol (CID 136960157) is [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol is COc1cc(CO)ccc1-c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)[nH]n1.
What is the InChIKey of [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The InChIKey is DZVQRIITPQNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-17-6-10(9-27)2-4-12(17)14-8-16(26-25-14)18-23-13-5-3-11(19(20,21)22)7-15(13)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol has a molecular weight of 388.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 136960157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).