5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole

C14H20N2 — CID 62677101

IUPAC5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
SMILESCCC(C)(C)c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C14H20N2/c1-6-14(4,5)13-15-11-7-9(2)10(3)8-12(11)16-13/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyUFHQAFBWIUJTHP-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.87
Rot. Bonds2

About 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole

5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole (PubChem CID 62677101) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
PubChem CID62677101
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
SMILESCCC(C)(C)c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C14H20N2/c1-6-14(4,5)13-15-11-7-9(2)10(3)8-12(11)16-13/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyUFHQAFBWIUJTHP-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole (CID 62677101) is 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole is CCC(C)(C)c1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole?
The InChIKey is UFHQAFBWIUJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-14(4,5)13-15-11-7-9(2)10(3)8-12(11)16-13/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of 5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole?
5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.87, 2 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-methylbutan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 62677101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).