2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole

C21H13F3N4O — CID 135804566

IUPAC2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1cccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)c1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)29-14-5-3-4-12(10-14)13-8-9-17-18(11-13)26-20(25-17)19-15-6-1-2-7-16(15)27-28-19/h1-11H,(H,25,26)(H,27,28)
InChIKeyDLBSEELZFDDISZ-UHFFFAOYSA-N
MW394.36 g/mol
LogP5.67
Rot. Bonds3

About 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole

2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 135804566) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID135804566
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1cccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)c1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)29-14-5-3-4-12(10-14)13-8-9-17-18(11-13)26-20(25-17)19-15-6-1-2-7-16(15)27-28-19/h1-11H,(H,25,26)(H,27,28)
InChIKeyDLBSEELZFDDISZ-UHFFFAOYSA-N
XLogP5.67
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

PF-1367550
CID 135567293
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-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 136387443
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 136387444
3-Methoxy-4-{3-[4-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566450
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
Indazole-benzimidazole, 12
CID 135928479
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137657080
2-[(E)-2-cyclohexylethenyl]-6-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 49806081
N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine
CID 118706735
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223478

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole (CID 135804566) is 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole is FC(F)(F)Oc1cccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is DLBSEELZFDDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-21(23,24)29-14-5-3-4-12(10-14)13-8-9-17-18(11-13)26-20(25-17)19-15-6-1-2-7-16(15)27-28-19/h1-11H,(H,25,26)(H,27,28).
What are the key properties of 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 394.36 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 135804566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).