N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine

C20H25N3O — CID 44337352

IUPACN-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
SMILESC1CN(C(=N1)NCCCCC2=CC=CC=C2)OCC3=CC=CC=C3
InChIInChI=1S/C20H25N3O/c1-3-9-18(10-4-1)11-7-8-14-21-20-22-15-16-23(20)24-17-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-17H2,(H,21,22)
InChIKeySVQYUMJGQQHRSA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.40
Rot. Bonds9

About N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine

N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine (PubChem CID 44337352) has the molecular formula C20H25N3O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
PubChem CID44337352
Molecular FormulaC20H25N3O
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
SMILESC1CN(C(=N1)NCCCCC2=CC=CC=C2)OCC3=CC=CC=C3
InChIInChI=1S/C20H25N3O/c1-3-9-18(10-4-1)11-7-8-14-21-20-22-15-16-23(20)24-17-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-17H2,(H,21,22)
InChIKeySVQYUMJGQQHRSA-UHFFFAOYSA-N
XLogP3.40
TPSA36.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity373

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine, Ib
CID 44239402
1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIb
CID 44239552
Pentyl-(1-phenethyloxy-4,5-dihydro-1H-imidazol-2-yl)-amine
CID 9860374
(1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-amine
CID 10038305
1-phenylmethoxy-N-propyl-4,5-dihydroimidazol-2-amine
CID 44336951
N-butyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336952
N-hexyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336953
1-[(4-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336963
1-[(4-chlorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336970
1-[(4-fluorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336971
1-[(3-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44337176
N-cyclopropyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337183

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine (CID 44337352) is N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine is C1CN(C(=N1)NCCCCC2=CC=CC=C2)OCC3=CC=CC=C3.
What is the InChIKey of N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The InChIKey is SVQYUMJGQQHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-9-18(10-4-1)11-7-8-14-21-20-22-15-16-23(20)24-17-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-17H2,(H,21,22).
What are the key properties of N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 44337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).