5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole

C14H22N2 — CID 135235284

IUPAC5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole
SMILESCc1cc2c(cc1C(C)(C)C)NC(C)(C)N2
InChIInChI=1S/C14H22N2/c1-9-7-11-12(16-14(5,6)15-11)8-10(9)13(2,3)4/h7-8,15-16H,1-6H3
InChIKeyPDXUUPCXTIRCSY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.87
Rot. Bonds

About 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole

5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole (PubChem CID 135235284) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole
PubChem CID135235284
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole
SMILESCc1cc2c(cc1C(C)(C)C)NC(C)(C)N2
InChIInChI=1S/C14H22N2/c1-9-7-11-12(16-14(5,6)15-11)8-10(9)13(2,3)4/h7-8,15-16H,1-6H3
InChIKeyPDXUUPCXTIRCSY-UHFFFAOYSA-N
XLogP3.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole?
The IUPAC name of 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole (CID 135235284) is 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole.
What is the SMILES notation for 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole?
The canonical SMILES for 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole is Cc1cc2c(cc1C(C)(C)C)NC(C)(C)N2.
What is the InChIKey of 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole?
The InChIKey is PDXUUPCXTIRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9-7-11-12(16-14(5,6)15-11)8-10(9)13(2,3)4/h7-8,15-16H,1-6H3.
What are the key properties of 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole?
5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2,6-trimethyl-1,3-dihydrobenzimidazole is sourced from PubChem (CID 135235284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).