2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole

C13H16N2O — CID 84681912

IUPAC2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2(C3=NCCN3)CC2)cc1
InChIInChI=1S/C13H16N2O/c1-16-11-4-2-10(3-5-11)13(6-7-13)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyJHNYVSMBYNEELJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole

2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole (PubChem CID 84681912) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
PubChem CID84681912
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2(C3=NCCN3)CC2)cc1
InChIInChI=1S/C13H16N2O/c1-16-11-4-2-10(3-5-11)13(6-7-13)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyJHNYVSMBYNEELJ-UHFFFAOYSA-N
XLogP1.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole (CID 84681912) is 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole is COc1ccc(C2(C3=NCCN3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JHNYVSMBYNEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-11-4-2-10(3-5-11)13(6-7-13)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 84681912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).