1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium

C10H12F3N2+ — CID 144983691

IUPAC1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium
SMILESCN1c2ccccc2[NH+](C)C1C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-14-7-5-3-4-6-8(7)15(2)9(14)10(11,12)13/h3-6,9H,1-2H3/p+1
InChIKeyGCTJPHBBGJIHKB-UHFFFAOYSA-O
MW217.21 g/mol
LogP1.17
Rot. Bonds

About 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium

1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium (PubChem CID 144983691) has the molecular formula C10H12F3N2+ and a molecular weight of 217.21 g/mol. Its IUPAC name is 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium.

Molecular Properties

Compound Name1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium
PubChem CID144983691
Molecular FormulaC10H12F3N2+
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium
SMILESCN1c2ccccc2[NH+](C)C1C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-14-7-5-3-4-6-8(7)15(2)9(14)10(11,12)13/h3-6,9H,1-2H3/p+1
InChIKeyGCTJPHBBGJIHKB-UHFFFAOYSA-O
XLogP1.17
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium?
The IUPAC name of 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium (CID 144983691) is 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium.
What is the SMILES notation for 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium?
The canonical SMILES for 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium is CN1c2ccccc2[NH+](C)C1C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium?
The InChIKey is GCTJPHBBGJIHKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11F3N2/c1-14-7-5-3-4-6-8(7)15(2)9(14)10(11,12)13/h3-6,9H,1-2H3/p+1.
What are the key properties of 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium?
1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium has a molecular weight of 217.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium is sourced from PubChem (CID 144983691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).