7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid

C22H14F3N3O3 — CID 162305506

IUPAC7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H13N3O.C2HF3O2/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-11,13,24H;(H,6,7)
InChIKeyNYBYUVJVAMEMED-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.90
Rot. Bonds2

About 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid

7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 162305506) has the molecular formula C22H14F3N3O3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID162305506
Molecular FormulaC22H14F3N3O3
Molecular Weight425.37 g/mol
Exact Mass425.10
IUPAC Name7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H13N3O.C2HF3O2/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-11,13,24H;(H,6,7)
InChIKeyNYBYUVJVAMEMED-UHFFFAOYSA-N
XLogP4.90
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid (CID 162305506) is 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is NYBYUVJVAMEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O.C2HF3O2/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-11,13,24H;(H,6,7).
What are the key properties of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid?
7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 425.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162305506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).