1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane

C25H29FN2 — CID 144644292

IUPAC1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane
SMILESCC1N(c2ccccc2)c2ccccc2N1c1ccccc1C(C)(C)C.CF
InChIInChI=1S/C24H26N2.CH3F/c1-18-25(19-12-6-5-7-13-19)22-16-10-11-17-23(22)26(18)21-15-9-8-14-20(21)24(2,3)4;1-2/h5-18H,1-4H3;1H3
InChIKeySBNHLEBSJUFXBE-UHFFFAOYSA-N
MW376.52 g/mol
LogP7.21
Rot. Bonds2

About 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane

1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane (PubChem CID 144644292) has the molecular formula C25H29FN2 and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane
PubChem CID144644292
Molecular FormulaC25H29FN2
Molecular Weight376.52 g/mol
Exact Mass376.23
IUPAC Name1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane
SMILESCC1N(c2ccccc2)c2ccccc2N1c1ccccc1C(C)(C)C.CF
InChIInChI=1S/C24H26N2.CH3F/c1-18-25(19-12-6-5-7-13-19)22-16-10-11-17-23(22)26(18)21-15-9-8-14-20(21)24(2,3)4;1-2/h5-18H,1-4H3;1H3
InChIKeySBNHLEBSJUFXBE-UHFFFAOYSA-N
XLogP7.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
CID 118071267
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
CID 175472927
CID 175472927
(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
CID 134316893
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64972240
1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
CID 173045672
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
CID 167085434
5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 162296591
1-(2-tert-butylphenyl)azepine
CID 155115104

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane?
The IUPAC name of 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane (CID 144644292) is 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane is CC1N(c2ccccc2)c2ccccc2N1c1ccccc1C(C)(C)C.CF.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane?
The InChIKey is SBNHLEBSJUFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2.CH3F/c1-18-25(19-12-6-5-7-13-19)22-16-10-11-17-23(22)26(18)21-15-9-8-14-20(21)24(2,3)4;1-2/h5-18H,1-4H3;1H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane?
1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane has a molecular weight of 376.52 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane is sourced from PubChem (CID 144644292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).