2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole

C18H20N2O2 — CID 82251671

IUPAC2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCCCOc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-7-15(8-3-1)21-13-6-14-22-17-10-5-4-9-16(17)18-19-11-12-20-18/h1-5,7-10H,6,11-14H2,(H,19,20)
InChIKeyKJVASFIYMBDFFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole

2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82251671) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82251671
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCCCOc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-7-15(8-3-1)21-13-6-14-22-17-10-5-4-9-16(17)18-19-11-12-20-18/h1-5,7-10H,6,11-14H2,(H,19,20)
InChIKeyKJVASFIYMBDFFM-UHFFFAOYSA-N
XLogP2.88
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
CID 45272766
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240192
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82249041
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-[2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 11311265
2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline
CID 44573802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 82251671) is 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole is c1ccc(OCCCOc2ccccc2C2=NCCN2)cc1.
What is the InChIKey of 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KJVASFIYMBDFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-7-15(8-3-1)21-13-6-14-22-17-10-5-4-9-16(17)18-19-11-12-20-18/h1-5,7-10H,6,11-14H2,(H,19,20).
What are the key properties of 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole?
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 296.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82251671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).