3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole

C15H24N2 — CID 71018229

IUPAC3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCN1C(C2(C)CCCCC2)=NC2C=CCCC21
InChIInChI=1S/C15H24N2/c1-15(10-6-3-7-11-15)14-16-12-8-4-5-9-13(12)17(14)2/h4,8,12-13H,3,5-7,9-11H2,1-2H3
InChIKeyFOOFFBBXVNUGRB-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.39
Rot. Bonds1

About 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole

3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole (PubChem CID 71018229) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole
PubChem CID71018229
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCN1C(C2(C)CCCCC2)=NC2C=CCCC21
InChIInChI=1S/C15H24N2/c1-15(10-6-3-7-11-15)14-16-12-8-4-5-9-13(12)17(14)2/h4,8,12-13H,3,5-7,9-11H2,1-2H3
InChIKeyFOOFFBBXVNUGRB-UHFFFAOYSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole (CID 71018229) is 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole is CN1C(C2(C)CCCCC2)=NC2C=CCCC21.
What is the InChIKey of 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole?
The InChIKey is FOOFFBBXVNUGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(10-6-3-7-11-15)14-16-12-8-4-5-9-13(12)17(14)2/h4,8,12-13H,3,5-7,9-11H2,1-2H3.
What are the key properties of 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole?
3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole has a molecular weight of 232.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 71018229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).