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

C13H20N2 — CID 21479281

IUPAC3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESC1=CC2NCN(C3CCCCC3)C2C=C1
InChIInChI=1S/C13H20N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h4-5,8-9,11-14H,1-3,6-7,10H2
InChIKeyIFEJRRHMMSRQII-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds1

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

3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole (PubChem CID 21479281) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole
PubChem CID21479281
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESC1=CC2NCN(C3CCCCC3)C2C=C1
InChIInChI=1S/C13H20N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h4-5,8-9,11-14H,1-3,6-7,10H2
InChIKeyIFEJRRHMMSRQII-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole (CID 21479281) is 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole is C1=CC2NCN(C3CCCCC3)C2C=C1.
What is the InChIKey of 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole?
The InChIKey is IFEJRRHMMSRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h4-5,8-9,11-14H,1-3,6-7,10H2.
What are the key properties of 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole?
3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole has a molecular weight of 204.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2,3a,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 21479281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).