1,5-dimethyl-5,6-dihydrobenzimidazole;ethane

C13H24N2 — CID 166131577

IUPAC1,5-dimethyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.CC.CC1C=c2ncn(C)c2=CC1
InChIInChI=1S/C9H12N2.2C2H6/c1-7-3-4-9-8(5-7)10-6-11(9)2;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyYILLCCRFYZERRW-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.07
Rot. Bonds

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

1,5-dimethyl-5,6-dihydrobenzimidazole;ethane (PubChem CID 166131577) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane.

Molecular Properties

Compound Name1,5-dimethyl-5,6-dihydrobenzimidazole;ethane
PubChem CID166131577
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1,5-dimethyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.CC.CC1C=c2ncn(C)c2=CC1
InChIInChI=1S/C9H12N2.2C2H6/c1-7-3-4-9-8(5-7)10-6-11(9)2;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyYILLCCRFYZERRW-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane?
The IUPAC name of 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane (CID 166131577) is 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane.
What is the SMILES notation for 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane?
The canonical SMILES for 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane is CC.CC.CC1C=c2ncn(C)c2=CC1.
What is the InChIKey of 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane?
The InChIKey is YILLCCRFYZERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-7-3-4-9-8(5-7)10-6-11(9)2;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane?
1,5-dimethyl-5,6-dihydrobenzimidazole;ethane has a molecular weight of 208.35 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5,6-dihydrobenzimidazole;ethane is sourced from PubChem (CID 166131577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).