3a,7a-dihydro-1H-benzimidazole;ethane

C11H20N2 — CID 123269322

IUPAC3a,7a-dihydro-1H-benzimidazole;ethane
SMILESC1=CC2N=CNC2C=C1.CC.CC
InChIInChI=1S/C7H8N2.2C2H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-7H,(H,8,9);2*1-2H3
InChIKeyUAFJHAJAGSDMSM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds

About 3a,7a-dihydro-1H-benzimidazole;ethane

3a,7a-dihydro-1H-benzimidazole;ethane (PubChem CID 123269322) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-benzimidazole;ethane.

Molecular Properties

Compound Name3a,7a-dihydro-1H-benzimidazole;ethane
PubChem CID123269322
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3a,7a-dihydro-1H-benzimidazole;ethane
SMILESC1=CC2N=CNC2C=C1.CC.CC
InChIInChI=1S/C7H8N2.2C2H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-7H,(H,8,9);2*1-2H3
InChIKeyUAFJHAJAGSDMSM-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 89120906
4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
CID 89300197
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 146992511
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
3a,7a-dihydro-1H-benzimidazole
CID 15762978
1-Methyl-3a,7a-dihydrobenzimidazole
CID 15762982
3a,4-dihydro-1H-benzimidazole
CID 18186079
1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-benzimidazole;ethane?
The IUPAC name of 3a,7a-dihydro-1H-benzimidazole;ethane (CID 123269322) is 3a,7a-dihydro-1H-benzimidazole;ethane.
What is the SMILES notation for 3a,7a-dihydro-1H-benzimidazole;ethane?
The canonical SMILES for 3a,7a-dihydro-1H-benzimidazole;ethane is C1=CC2N=CNC2C=C1.CC.CC.
What is the InChIKey of 3a,7a-dihydro-1H-benzimidazole;ethane?
The InChIKey is UAFJHAJAGSDMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.2C2H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-7H,(H,8,9);2*1-2H3.
What are the key properties of 3a,7a-dihydro-1H-benzimidazole;ethane?
3a,7a-dihydro-1H-benzimidazole;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-benzimidazole;ethane is sourced from PubChem (CID 123269322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).