acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

C23H31N3O3 — CID 25032675

IUPACacetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=O)O.CCCCOc1ccc(CC(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O.C2H4O2/c1-2-3-15-25-19-11-9-17(10-12-19)16-20(18-7-5-4-6-8-18)24-21-22-13-14-23-21;1-2(3)4/h4-12,20H,2-3,13-16H2,1H3,(H2,22,23,24);1H3,(H,3,4)
InChIKeyJFLUZDPLFIYVNZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.79
Rot. Bonds8

About acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 25032675) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Nameacetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID25032675
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Nameacetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=O)O.CCCCOc1ccc(CC(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O.C2H4O2/c1-2-3-15-25-19-11-9-17(10-12-19)16-20(18-7-5-4-6-8-18)24-21-22-13-14-23-21;1-2(3)4/h4-12,20H,2-3,13-16H2,1H3,(H2,22,23,24);1H3,(H,3,4)
InChIKeyJFLUZDPLFIYVNZ-UHFFFAOYSA-N
XLogP3.79
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
ethyl (3S)-3-phenyl-4-[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propoxy]phenyl]butanoate
CID 86586121
N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
CID 25032490
acetic acid;butoxybenzene
CID 162338086
methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate
CID 114400162
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
CID 71196039
2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
CID 53315833
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 25032493
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 25032675) is acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is CC(=O)O.CCCCOc1ccc(CC(NC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JFLUZDPLFIYVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.C2H4O2/c1-2-3-15-25-19-11-9-17(10-12-19)16-20(18-7-5-4-6-8-18)24-21-22-13-14-23-21;1-2(3)4/h4-12,20H,2-3,13-16H2,1H3,(H2,22,23,24);1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 397.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(4-butoxyphenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 25032675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).