2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

C14H11F3N2 — CID 86257544

IUPAC2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESFC(F)(F)C1(c2ccccc2)Nc2ccccc2N1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18-19H
InChIKeyBKNAQGCKMRHPBP-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.94
Rot. Bonds1

About 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (PubChem CID 86257544) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
PubChem CID86257544
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESFC(F)(F)C1(c2ccccc2)Nc2ccccc2N1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18-19H
InChIKeyBKNAQGCKMRHPBP-UHFFFAOYSA-N
XLogP3.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-2-phenyl-1,3-dihydrobenzimidazole
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(2R,10aS)-2-phenyl-2-(trifluoromethyl)-3,10a-dihydro-1H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 95989266
5-phenyl-5-(trifluoromethyl)tetrazole
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3-(4-ethynylphenyl)-3-(trifluoromethyl)diaziridine
CID 132942827
3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine
CID 132942830
2-[4-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]acetic acid
CID 118699967
7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
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2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
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CID 173192380

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The IUPAC name of 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (CID 86257544) is 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is FC(F)(F)C1(c2ccccc2)Nc2ccccc2N1.
What is the InChIKey of 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The InChIKey is BKNAQGCKMRHPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18-19H.
What are the key properties of 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole has a molecular weight of 264.25 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is sourced from PubChem (CID 86257544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).