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

C19H15F3N4O2 — CID 136960156

IUPAC[3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-5-10(9-27)4-11(6-13)15-8-17(26-25-15)18-23-14-3-2-12(19(20,21)22)7-16(14)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyAFXQPPRZTNXRMR-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.14
Rot. Bonds4

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

[3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol (PubChem CID 136960156) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
PubChem CID136960156
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name[3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-5-10(9-27)4-11(6-13)15-8-17(26-25-15)18-23-14-3-2-12(19(20,21)22)7-16(14)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyAFXQPPRZTNXRMR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-1H-benzimidazole
CID 136325878
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
2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2303842
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 122189103
4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol
CID 135966068
2-[3-methoxy-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 145949495
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

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol (CID 136960156) is [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol is COc1cc(CO)cc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c1.
What is the InChIKey of [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
The InChIKey is AFXQPPRZTNXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-13-5-10(9-27)4-11(6-13)15-8-17(26-25-15)18-23-14-3-2-12(19(20,21)22)7-16(14)24-18/h2-8,27H,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of [3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol?
[3-methoxy-5-[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-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 136960156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).