1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid

C27H18N4O2 — CID 141290744

IUPAC1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2-c1cc(-n2cnc3ccccc32)ccc1-c1ccccc1
InChIInChI=1S/C27H18N4O2/c32-27(33)21-9-6-12-24-26(21)29-17-31(24)25-15-19(13-14-20(25)18-7-2-1-3-8-18)30-16-28-22-10-4-5-11-23(22)30/h1-17H,(H,32,33)
InChIKeyFPZIMVACUCOWPM-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.73
Rot. Bonds4

About 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid

1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid (PubChem CID 141290744) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
PubChem CID141290744
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2-c1cc(-n2cnc3ccccc32)ccc1-c1ccccc1
InChIInChI=1S/C27H18N4O2/c32-27(33)21-9-6-12-24-26(21)29-17-31(24)25-15-19(13-14-20(25)18-7-2-1-3-8-18)30-16-28-22-10-4-5-11-23(22)30/h1-17H,(H,32,33)
InChIKeyFPZIMVACUCOWPM-UHFFFAOYSA-N
XLogP5.73
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290745
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 107593291
CID 149192166
CID 149192166
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
1-(2-cyano-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 107800016

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid (CID 141290744) is 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1ncn2-c1cc(-n2cnc3ccccc32)ccc1-c1ccccc1.
What is the InChIKey of 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The InChIKey is FPZIMVACUCOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c32-27(33)21-9-6-12-24-26(21)29-17-31(24)25-15-19(13-14-20(25)18-7-2-1-3-8-18)30-16-28-22-10-4-5-11-23(22)30/h1-17H,(H,32,33).
What are the key properties of 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid has a molecular weight of 430.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 141290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).