4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C16H26N2 — CID 82947946

IUPAC4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CCC(c2nc3c([nH]2)CC(C)CC3C)CC1
InChIInChI=1S/C16H26N2/c1-10-4-6-13(7-5-10)16-17-14-9-11(2)8-12(3)15(14)18-16/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyCZRUQACANUBMLG-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.39
Rot. Bonds1

About 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole

4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 82947946) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID82947946
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CCC(c2nc3c([nH]2)CC(C)CC3C)CC1
InChIInChI=1S/C16H26N2/c1-10-4-6-13(7-5-10)16-17-14-9-11(2)8-12(3)15(14)18-16/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyCZRUQACANUBMLG-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 82947946) is 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1CCC(c2nc3c([nH]2)CC(C)CC3C)CC1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is CZRUQACANUBMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-10-4-6-13(7-5-10)16-17-14-9-11(2)8-12(3)15(14)18-16/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 246.40 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 82947946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).