1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane

C11H18N2 — CID 143637437

IUPAC1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane
SMILESCC.CC1=NC2C=CC=CC2N1C
InChIInChI=1S/C9H12N2.C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2/h3-6,8-9H,1-2H3;1-2H3
InChIKeyIOMYIIMVZRVFBN-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds

About 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane

1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane (PubChem CID 143637437) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane.

Molecular Properties

Compound Name1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane
PubChem CID143637437
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane
SMILESCC.CC1=NC2C=CC=CC2N1C
InChIInChI=1S/C9H12N2.C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2/h3-6,8-9H,1-2H3;1-2H3
InChIKeyIOMYIIMVZRVFBN-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863781
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
6-Bromo-1-(2,2-difluoroethyl)-2-methyl-3a,7a-dihydrobenzimidazole
CID 169277817
3-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852398
5a,9a-Dihydropyrido[1,2-a]benzimidazole
CID 134852401
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
1-Hydroxy-2-methyl-3-oxido-3a,7a-dihydrobenzimidazol-3-ium
CID 134989802
2-Ethyl-1-hydroxy-3-oxido-3a,7a-dihydrobenzimidazol-3-ium
CID 134989878
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
1-Methyl-3a,7a-dihydrobenzimidazole
CID 15762982
1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane?
The IUPAC name of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane (CID 143637437) is 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane.
What is the SMILES notation for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane?
The canonical SMILES for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane is CC.CC1=NC2C=CC=CC2N1C.
What is the InChIKey of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane?
The InChIKey is IOMYIIMVZRVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2/h3-6,8-9H,1-2H3;1-2H3.
What are the key properties of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane?
1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane is sourced from PubChem (CID 143637437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).