2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole

C13H18N2O — CID 45487962

IUPAC2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole
SMILESCCCc1ccccc1COC1=NCCN1
InChIInChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)10-16-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15)
InChIKeyXBWFPEVESQMIBM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds4

About 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole

2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole (PubChem CID 45487962) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole
PubChem CID45487962
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole
SMILESCCCc1ccccc1COC1=NCCN1
InChIInChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)10-16-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15)
InChIKeyXBWFPEVESQMIBM-UHFFFAOYSA-N
XLogP2.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole (CID 45487962) is 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole is CCCc1ccccc1COC1=NCCN1.
What is the InChIKey of 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole?
The InChIKey is XBWFPEVESQMIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)10-16-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15).
What are the key properties of 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole?
2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45487962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).