5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole

C16H23F3N2 — CID 104623005

IUPAC5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1Cc2nc(C3CCCCC3C(F)(F)F)[nH]c2CC1C
InChIInChI=1S/C16H23F3N2/c1-9-7-13-14(8-10(9)2)21-15(20-13)11-5-3-4-6-12(11)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,21)
InChIKeyQUSYMILSDFITGW-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.62
Rot. Bonds1

About 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole

5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 104623005) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID104623005
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1Cc2nc(C3CCCCC3C(F)(F)F)[nH]c2CC1C
InChIInChI=1S/C16H23F3N2/c1-9-7-13-14(8-10(9)2)21-15(20-13)11-5-3-4-6-12(11)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,21)
InChIKeyQUSYMILSDFITGW-UHFFFAOYSA-N
XLogP4.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622389
2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622377
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186425
5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 113434049
2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 114827273
4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-5-thione
CID 104622370
2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
CID 113434005
5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 114023099

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 104623005) is 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole is CC1Cc2nc(C3CCCCC3C(F)(F)F)[nH]c2CC1C.
What is the InChIKey of 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is QUSYMILSDFITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-9-7-13-14(8-10(9)2)21-15(20-13)11-5-3-4-6-12(11)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 300.37 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 104623005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).