2,6,6-trimethyl-1,5-dihydrobenzimidazole

C10H14N2 — CID 138749559

IUPAC2,6,6-trimethyl-1,5-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)=CC(C)(C)CC=2
InChIInChI=1S/C10H14N2/c1-7-11-8-4-5-10(2,3)6-9(8)12-7/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyDDHLSKCDZVNZCY-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.71
Rot. Bonds

About 2,6,6-trimethyl-1,5-dihydrobenzimidazole

2,6,6-trimethyl-1,5-dihydrobenzimidazole (PubChem CID 138749559) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,6,6-trimethyl-1,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2,6,6-trimethyl-1,5-dihydrobenzimidazole
PubChem CID138749559
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,6,6-trimethyl-1,5-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)=CC(C)(C)CC=2
InChIInChI=1S/C10H14N2/c1-7-11-8-4-5-10(2,3)6-9(8)12-7/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyDDHLSKCDZVNZCY-UHFFFAOYSA-N
XLogP0.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The IUPAC name of 2,6,6-trimethyl-1,5-dihydrobenzimidazole (CID 138749559) is 2,6,6-trimethyl-1,5-dihydrobenzimidazole.
What is the SMILES notation for 2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The canonical SMILES for 2,6,6-trimethyl-1,5-dihydrobenzimidazole is Cc1nc2c([nH]1)=CC(C)(C)CC=2.
What is the InChIKey of 2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The InChIKey is DDHLSKCDZVNZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-11-8-4-5-10(2,3)6-9(8)12-7/h4,6H,5H2,1-3H3,(H,11,12).
What are the key properties of 2,6,6-trimethyl-1,5-dihydrobenzimidazole?
2,6,6-trimethyl-1,5-dihydrobenzimidazole has a molecular weight of 162.24 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1,5-dihydrobenzimidazole is sourced from PubChem (CID 138749559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).