2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole

C10H14N2O — CID 121450444

IUPAC2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CCC(OCC2=NCCN2)C=C1
InChIInChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-4,9H,5-8H2,(H,11,12)
InChIKeyLGFTYAMNRDNWOM-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.89
Rot. Bonds3

About 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole

2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole (PubChem CID 121450444) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole
PubChem CID121450444
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CCC(OCC2=NCCN2)C=C1
InChIInChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-4,9H,5-8H2,(H,11,12)
InChIKeyLGFTYAMNRDNWOM-UHFFFAOYSA-N
XLogP0.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole (CID 121450444) is 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole is C1=CCC(OCC2=NCCN2)C=C1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LGFTYAMNRDNWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-4,9H,5-8H2,(H,11,12).
What are the key properties of 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole?
2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 178.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 121450444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).