6,6-dimethyl-1,5-dihydrobenzimidazole

C9H12N2 — CID 137427616

IUPAC6,6-dimethyl-1,5-dihydrobenzimidazole
SMILESCC1(C)C=c2[nH]cnc2=CC1
InChIInChI=1S/C9H12N2/c1-9(2)4-3-7-8(5-9)11-6-10-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyIOFWVDYOHNFNDT-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.40
Rot. Bonds

About 6,6-dimethyl-1,5-dihydrobenzimidazole

6,6-dimethyl-1,5-dihydrobenzimidazole (PubChem CID 137427616) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6,6-dimethyl-1,5-dihydrobenzimidazole.

Molecular Properties

Compound Name6,6-dimethyl-1,5-dihydrobenzimidazole
PubChem CID137427616
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6,6-dimethyl-1,5-dihydrobenzimidazole
SMILESCC1(C)C=c2[nH]cnc2=CC1
InChIInChI=1S/C9H12N2/c1-9(2)4-3-7-8(5-9)11-6-10-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyIOFWVDYOHNFNDT-UHFFFAOYSA-N
XLogP0.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,5-dihydrobenzimidazole?
The IUPAC name of 6,6-dimethyl-1,5-dihydrobenzimidazole (CID 137427616) is 6,6-dimethyl-1,5-dihydrobenzimidazole.
What is the SMILES notation for 6,6-dimethyl-1,5-dihydrobenzimidazole?
The canonical SMILES for 6,6-dimethyl-1,5-dihydrobenzimidazole is CC1(C)C=c2[nH]cnc2=CC1.
What is the InChIKey of 6,6-dimethyl-1,5-dihydrobenzimidazole?
The InChIKey is IOFWVDYOHNFNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-9(2)4-3-7-8(5-9)11-6-10-7/h3,5-6H,4H2,1-2H3,(H,10,11).
What are the key properties of 6,6-dimethyl-1,5-dihydrobenzimidazole?
6,6-dimethyl-1,5-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,5-dihydrobenzimidazole is sourced from PubChem (CID 137427616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).