1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole

C23H21FN2 — CID 118598402

IUPAC1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole
SMILESCC(C)(C)n1cnc2cc(-c3cccc(-c4ccccc4)c3F)ccc21
InChIInChI=1S/C23H21FN2/c1-23(2,3)26-15-25-20-14-17(12-13-21(20)26)19-11-7-10-18(22(19)24)16-8-5-4-6-9-16/h4-15H,1-3H3
InChIKeyTVSNOPDHJJRNAL-UHFFFAOYSA-N
MW344.43 g/mol
LogP6.26
Rot. Bonds2

About 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole

1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole (PubChem CID 118598402) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole
PubChem CID118598402
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole
SMILESCC(C)(C)n1cnc2cc(-c3cccc(-c4ccccc4)c3F)ccc21
InChIInChI=1S/C23H21FN2/c1-23(2,3)26-15-25-20-14-17(12-13-21(20)26)19-11-7-10-18(22(19)24)16-8-5-4-6-9-16/h4-15H,1-3H3
InChIKeyTVSNOPDHJJRNAL-UHFFFAOYSA-N
XLogP6.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
CID 118598389
5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138
2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol
CID 797345
3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488561
5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
1-methyl-6-phenylbenzimidazole
CID 135028518
3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine
CID 175086759
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
2-(2-fluoro-3-phenylphenyl)-5-methylpyrrolo[2,3-b]pyrazine
CID 118598428
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828721
2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
CID 118598452

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole?
The IUPAC name of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole (CID 118598402) is 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole.
What is the SMILES notation for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole?
The canonical SMILES for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole is CC(C)(C)n1cnc2cc(-c3cccc(-c4ccccc4)c3F)ccc21.
What is the InChIKey of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole?
The InChIKey is TVSNOPDHJJRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c1-23(2,3)26-15-25-20-14-17(12-13-21(20)26)19-11-7-10-18(22(19)24)16-8-5-4-6-9-16/h4-15H,1-3H3.
What are the key properties of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole?
1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole has a molecular weight of 344.43 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)benzimidazole is sourced from PubChem (CID 118598402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).