1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole

C12H14N2 — CID 12899031

IUPAC1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole
SMILESCC(C1=CC=CC=CC1)n1ccnc1
InChIInChI=1S/C12H14N2/c1-11(14-9-8-13-10-14)12-6-4-2-3-5-7-12/h2-6,8-11H,7H2,1H3
InChIKeyNTYIMNNUAOCKHA-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.89
Rot. Bonds2

About 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole

1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole (PubChem CID 12899031) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole
PubChem CID12899031
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole
SMILESCC(C1=CC=CC=CC1)n1ccnc1
InChIInChI=1S/C12H14N2/c1-11(14-9-8-13-10-14)12-6-4-2-3-5-7-12/h2-6,8-11H,7H2,1H3
InChIKeyNTYIMNNUAOCKHA-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole?
The IUPAC name of 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole (CID 12899031) is 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole.
What is the SMILES notation for 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole?
The canonical SMILES for 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole is CC(C1=CC=CC=CC1)n1ccnc1.
What is the InChIKey of 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole?
The InChIKey is NTYIMNNUAOCKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-11(14-9-8-13-10-14)12-6-4-2-3-5-7-12/h2-6,8-11H,7H2,1H3.
What are the key properties of 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole?
1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohepta-1,3,5-trien-1-ylethyl)imidazole is sourced from PubChem (CID 12899031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).