2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole

C15H17F3N2 — CID 106827844

IUPAC2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H17F3N2/c1-14(7-3-2-4-8-14)13-19-11-6-5-10(15(16,17)18)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyRSDWXHPJJWFCPU-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.80
Rot. Bonds1

About 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 106827844) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID106827844
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H17F3N2/c1-14(7-3-2-4-8-14)13-19-11-6-5-10(15(16,17)18)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyRSDWXHPJJWFCPU-UHFFFAOYSA-N
XLogP4.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylthiolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81452382
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole
CID 106827829
4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
CID 81456103
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
methanol;6-(trifluoromethyl)-1H-benzimidazole-2-sulfonic acid
CID 144728382

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 106827844) is 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole is CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is RSDWXHPJJWFCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-14(7-3-2-4-8-14)13-19-11-6-5-10(15(16,17)18)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 282.31 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 106827844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).