3-propyl-1,2,3a,7a-tetrahydrobenzimidazole

C10H16N2 — CID 21479197

IUPAC3-propyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCCCN1CNC2C=CC=CC21
InChIInChI=1S/C10H16N2/c1-2-7-12-8-11-9-5-3-4-6-10(9)12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyWQIXNPXGPXQVSR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.12
Rot. Bonds2

About 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole

3-propyl-1,2,3a,7a-tetrahydrobenzimidazole (PubChem CID 21479197) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-propyl-1,2,3a,7a-tetrahydrobenzimidazole
PubChem CID21479197
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-propyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCCCN1CNC2C=CC=CC21
InChIInChI=1S/C10H16N2/c1-2-7-12-8-11-9-5-3-4-6-10(9)12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyWQIXNPXGPXQVSR-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole (CID 21479197) is 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole is CCCN1CNC2C=CC=CC21.
What is the InChIKey of 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole?
The InChIKey is WQIXNPXGPXQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-12-8-11-9-5-3-4-6-10(9)12/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole?
3-propyl-1,2,3a,7a-tetrahydrobenzimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,3a,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 21479197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).