1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole

C16H11F3N2 — CID 25242148

IUPAC1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
SMILESFC(F)=C(F)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H11F3N2/c17-14(15(18)19)16-20-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyUBNREMKZZITYJC-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.62
Rot. Bonds3

About 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole

1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole (PubChem CID 25242148) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
PubChem CID25242148
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
SMILESFC(F)=C(F)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H11F3N2/c17-14(15(18)19)16-20-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyUBNREMKZZITYJC-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 764782
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 175670593
1-benzylbenzimidazole-2-carbonitrile
CID 15363638
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-2-propylbenzimidazole
CID 764560
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole (CID 25242148) is 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole is FC(F)=C(F)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole?
The InChIKey is UBNREMKZZITYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-14(15(18)19)16-20-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole?
1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole has a molecular weight of 288.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole is sourced from PubChem (CID 25242148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).