2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole

C17H24N2 — CID 82947050

IUPAC2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H24N2/c1-12-10-13(2)17-15(11-12)18-16(19-17)9-8-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyXGKVXRGSOFHIFV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.69
Rot. Bonds3

About 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole

2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82947050) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82947050
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H24N2/c1-12-10-13(2)17-15(11-12)18-16(19-17)9-8-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyXGKVXRGSOFHIFV-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole (CID 82947050) is 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(CCC3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is XGKVXRGSOFHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-10-13(2)17-15(11-12)18-16(19-17)9-8-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole?
2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 256.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82947050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).