2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole

C14H22N2 — CID 142020180

IUPAC2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCCCN1C(CC)=NC2C=CC(CC)=CC21
InChIInChI=1S/C14H22N2/c1-4-9-16-13-10-11(5-2)7-8-12(13)15-14(16)6-3/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyFAGBSBBUIORJQW-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.16
Rot. Bonds4

About 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole

2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole (PubChem CID 142020180) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole
PubChem CID142020180
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole
SMILESCCCN1C(CC)=NC2C=CC(CC)=CC21
InChIInChI=1S/C14H22N2/c1-4-9-16-13-10-11(5-2)7-8-12(13)15-14(16)6-3/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyFAGBSBBUIORJQW-UHFFFAOYSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole (CID 142020180) is 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole is CCCN1C(CC)=NC2C=CC(CC)=CC21.
What is the InChIKey of 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole?
The InChIKey is FAGBSBBUIORJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-9-16-13-10-11(5-2)7-8-12(13)15-14(16)6-3/h7-8,10,12-13H,4-6,9H2,1-3H3.
What are the key properties of 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole?
2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-propyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 142020180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).