N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide

C19H21N3O2 — CID 82240196

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H21N3O2/c23-18(10-5-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23)
InChIKeyOQXBBEXBKGRSPW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds7

About N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide (PubChem CID 82240196) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
PubChem CID82240196
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H21N3O2/c23-18(10-5-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23)
InChIKeyOQXBBEXBKGRSPW-UHFFFAOYSA-N
XLogP2.83
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
CID 89119273
CID 89119273
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
4-phenoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 134053013
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide (CID 82240196) is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1cccc(C2=NCCN2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide?
The InChIKey is OQXBBEXBKGRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(10-5-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide?
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide has a molecular weight of 323.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 82240196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).