4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole

C17H17FN2 — CID 164927244

IUPAC4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole
SMILESCC(C)(C)c1c(F)c(-c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C17H17FN2/c1-17(2,3)14-15(18)12(11-7-5-4-6-8-11)9-13-16(14)20-10-19-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKOYPDPHYTMMMOH-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.67
Rot. Bonds1

About 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole

4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole (PubChem CID 164927244) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole
PubChem CID164927244
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole
SMILESCC(C)(C)c1c(F)c(-c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C17H17FN2/c1-17(2,3)14-15(18)12(11-7-5-4-6-8-11)9-13-16(14)20-10-19-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKOYPDPHYTMMMOH-UHFFFAOYSA-N
XLogP4.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
CID 164927245
N-(7-phenyl-3H-benzimidazol-5-yl)formamide
CID 58748890
2-tert-butyl-1-fluoro-3-methyl-4-phenylbenzene
CID 164927276
6-methyl-5-phenyl-1H-benzimidazole
CID 20784905
6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole
CID 112758220
5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
1H-benzimidazole;1,2-diphenylbenzene
CID 174973053
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
1-(7-fluoro-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
CID 58252562
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 50961209
4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 175087809
methyl 3-[4-(2-hydroxypropan-2-yl)-1H-benzimidazol-5-yl]benzoate
CID 175533011

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole?
The IUPAC name of 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole (CID 164927244) is 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole.
What is the SMILES notation for 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole?
The canonical SMILES for 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole is CC(C)(C)c1c(F)c(-c2ccccc2)cc2[nH]cnc12.
What is the InChIKey of 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole?
The InChIKey is KOYPDPHYTMMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-17(2,3)14-15(18)12(11-7-5-4-6-8-11)9-13-16(14)20-10-19-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole?
4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole has a molecular weight of 268.33 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole is sourced from PubChem (CID 164927244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).