ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole

C14H24N2 — CID 142020205

IUPACethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCC.CCCN1C(CC)=NC2C=CC=CC21
InChIInChI=1S/C12H18N2.C2H6/c1-3-9-14-11-8-6-5-7-10(11)13-12(14)4-2;1-2/h5-8,10-11H,3-4,9H2,1-2H3;1-2H3
InChIKeyARUUDLWYYNILCJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.41
Rot. Bonds3

About ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole

ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole (PubChem CID 142020205) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole
PubChem CID142020205
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCC.CCCN1C(CC)=NC2C=CC=CC21
InChIInChI=1S/C12H18N2.C2H6/c1-3-9-14-11-8-6-5-7-10(11)13-12(14)4-2;1-2/h5-8,10-11H,3-4,9H2,1-2H3;1-2H3
InChIKeyARUUDLWYYNILCJ-UHFFFAOYSA-N
XLogP3.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole (CID 142020205) is ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole is CC.CCCN1C(CC)=NC2C=CC=CC21.
What is the InChIKey of ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The InChIKey is ARUUDLWYYNILCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-3-9-14-11-8-6-5-7-10(11)13-12(14)4-2;1-2/h5-8,10-11H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole?
ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole has a molecular weight of 220.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-propyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 142020205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).