2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole

C14H11F3N2 — CID 142765912

IUPAC2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
SMILESCc1cc(C)c2nc3cc(C(F)(F)F)ccc3n2c1
InChIInChI=1S/C14H11F3N2/c1-8-5-9(2)13-18-11-6-10(14(15,16)17)3-4-12(11)19(13)7-8/h3-7H,1-2H3
InChIKeySSNQFEPAGWFSMD-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.12
Rot. Bonds

About 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole

2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole (PubChem CID 142765912) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
PubChem CID142765912
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
SMILESCc1cc(C)c2nc3cc(C(F)(F)F)ccc3n2c1
InChIInChI=1S/C14H11F3N2/c1-8-5-9(2)13-18-11-6-10(14(15,16)17)3-4-12(11)19(13)7-8/h3-7H,1-2H3
InChIKeySSNQFEPAGWFSMD-UHFFFAOYSA-N
XLogP4.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
(NE,S)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylidene]propane-2-sulfinamide
CID 171534730
2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
CID 46309081
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
16-methyl-6,27-bis(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene
CID 126608669
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 115430280
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole (CID 142765912) is 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole is Cc1cc(C)c2nc3cc(C(F)(F)F)ccc3n2c1.
What is the InChIKey of 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The InChIKey is SSNQFEPAGWFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c1-8-5-9(2)13-18-11-6-10(14(15,16)17)3-4-12(11)19(13)7-8/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole has a molecular weight of 264.25 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 142765912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).