1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole

C14H12F3N3 — CID 70833318

IUPAC1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole
SMILESCN1C(c2ccncc2)=NC2C=CC(C(F)(F)F)=CC21
InChIInChI=1S/C14H12F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8,11-12H,1H3
InChIKeyYWJICAUOCSOYEG-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole

1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole (PubChem CID 70833318) has the molecular formula C14H12F3N3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole
PubChem CID70833318
Molecular FormulaC14H12F3N3
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole
SMILESCN1C(c2ccncc2)=NC2C=CC(C(F)(F)F)=CC21
InChIInChI=1S/C14H12F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8,11-12H,1H3
InChIKeyYWJICAUOCSOYEG-UHFFFAOYSA-N
XLogP2.57
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole (CID 70833318) is 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole is CN1C(c2ccncc2)=NC2C=CC(C(F)(F)F)=CC21.
What is the InChIKey of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole?
The InChIKey is YWJICAUOCSOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8,11-12H,1H3.
What are the key properties of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole?
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole has a molecular weight of 279.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 70833318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).