2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole

C14H18N2O — CID 45487956

IUPAC2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
SMILESCC(OC1=NCCN1)c1ccccc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10(17-14-15-8-9-16-14)12-4-2-3-5-13(12)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
InChIKeyBGPHEWUAKSHOBD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole

2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole (PubChem CID 45487956) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
PubChem CID45487956
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
SMILESCC(OC1=NCCN1)c1ccccc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10(17-14-15-8-9-16-14)12-4-2-3-5-13(12)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
InChIKeyBGPHEWUAKSHOBD-UHFFFAOYSA-N
XLogP2.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole (CID 45487956) is 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole is CC(OC1=NCCN1)c1ccccc1C1CC1.
What is the InChIKey of 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The InChIKey is BGPHEWUAKSHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17-14-15-8-9-16-14)12-4-2-3-5-13(12)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45487956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).