2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole

C13H20N2 — CID 142019971

IUPAC2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCCCN1C(CC)=NC2C=CC(C)=CC21
InChIInChI=1S/C13H20N2/c1-4-8-15-12-9-10(3)6-7-11(12)14-13(15)5-2/h6-7,9,11-12H,4-5,8H2,1-3H3
InChIKeyFTZAYTBJOFZNAV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.77
Rot. Bonds3

About 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole

2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole (PubChem CID 142019971) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole
PubChem CID142019971
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCCCN1C(CC)=NC2C=CC(C)=CC21
InChIInChI=1S/C13H20N2/c1-4-8-15-12-9-10(3)6-7-11(12)14-13(15)5-2/h6-7,9,11-12H,4-5,8H2,1-3H3
InChIKeyFTZAYTBJOFZNAV-UHFFFAOYSA-N
XLogP2.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole (CID 142019971) is 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole is CCCN1C(CC)=NC2C=CC(C)=CC21.
What is the InChIKey of 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole?
The InChIKey is FTZAYTBJOFZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-8-15-12-9-10(3)6-7-11(12)14-13(15)5-2/h6-7,9,11-12H,4-5,8H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole?
2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole has a molecular weight of 204.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 142019971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).