2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C16H23F3N2 — CID 107186425

IUPAC2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1(C)CCCCC1c1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C16H23F3N2/c1-15(2)8-4-3-5-11(15)14-20-12-7-6-10(16(17,18)19)9-13(12)21-14/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeySUNNTYBFKNKBIB-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.76
Rot. Bonds1

About 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 107186425) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID107186425
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1(C)CCCCC1c1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C16H23F3N2/c1-15(2)8-4-3-5-11(15)14-20-12-7-6-10(16(17,18)19)9-13(12)21-14/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeySUNNTYBFKNKBIB-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 107186425) is 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1(C)CCCCC1c1nc2c([nH]1)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is SUNNTYBFKNKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-15(2)8-4-3-5-11(15)14-20-12-7-6-10(16(17,18)19)9-13(12)21-14/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 300.37 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 107186425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).