5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole

C9H16N2 — CID 138625841

IUPAC5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole
SMILESCC1CC2=C(CC1C)NCN2
InChIInChI=1S/C9H16N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h6-7,10-11H,3-5H2,1-2H3
InChIKeyVYLMBZPRZVWOSQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds

About 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole

5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole (PubChem CID 138625841) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole
PubChem CID138625841
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole
SMILESCC1CC2=C(CC1C)NCN2
InChIInChI=1S/C9H16N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h6-7,10-11H,3-5H2,1-2H3
InChIKeyVYLMBZPRZVWOSQ-UHFFFAOYSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole (CID 138625841) is 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole is CC1CC2=C(CC1C)NCN2.
What is the InChIKey of 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The InChIKey is VYLMBZPRZVWOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole?
5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole has a molecular weight of 152.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole is sourced from PubChem (CID 138625841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).