3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol

C14H8F3N3O3 — CID 15175571

IUPAC3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESO=[N+]([O-])c1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13-18-11-6-5-10(21)7-12(11)19(13)8-1-3-9(4-2-8)20(22)23/h1-7,21H
InChIKeyQIPNHDLUHAHRAC-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.66
Rot. Bonds2

About 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol

3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol (PubChem CID 15175571) has the molecular formula C14H8F3N3O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol.

Molecular Properties

Compound Name3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol
PubChem CID15175571
Molecular FormulaC14H8F3N3O3
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESO=[N+]([O-])c1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13-18-11-6-5-10(21)7-12(11)19(13)8-1-3-9(4-2-8)20(22)23/h1-7,21H
InChIKeyQIPNHDLUHAHRAC-UHFFFAOYSA-N
XLogP3.66
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
7-nitro-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
CID 166447364
6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
CID 164670426
3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol
CID 10382073
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
methyl 3-[6-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]propanoate
CID 129320176
4-nitrophenol
CID 88714583
1-[3-(4-nitrophenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 55876053
4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]phenol
CID 52731616
1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
CID 164670438
4-nitrophenol;phosphane
CID 157153413
ethane;2-methylsulfanyl-1-(4-nitrophenyl)benzimidazole
CID 91362778

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The IUPAC name of 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol (CID 15175571) is 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol.
What is the SMILES notation for 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The canonical SMILES for 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol is O=[N+]([O-])c1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The InChIKey is QIPNHDLUHAHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3/c15-14(16,17)13-18-11-6-5-10(21)7-12(11)19(13)8-1-3-9(4-2-8)20(22)23/h1-7,21H.
What are the key properties of 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol has a molecular weight of 323.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol is sourced from PubChem (CID 15175571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).