2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline

C21H26N6O2 — CID 44573802

IUPAC2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline
SMILESNc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1N
InChIInChI=1S/C21H26N6O2/c22-16-12-14(20-24-6-7-25-20)2-4-18(16)28-10-1-11-29-19-5-3-15(13-17(19)23)21-26-8-9-27-21/h2-5,12-13H,1,6-11,22-23H2,(H,24,25)(H,26,27)
InChIKeyVLOYXVRUCXLBDZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.40
Rot. Bonds8

About 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline

2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline (PubChem CID 44573802) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline
PubChem CID44573802
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline
SMILESNc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1N
InChIInChI=1S/C21H26N6O2/c22-16-12-14(20-24-6-7-25-20)2-4-18(16)28-10-1-11-29-19-5-3-15(13-17(19)23)21-26-8-9-27-21/h2-5,12-13H,1,6-11,22-23H2,(H,24,25)(H,26,27)
InChIKeyVLOYXVRUCXLBDZ-UHFFFAOYSA-N
XLogP1.40
TPSA119.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11306162
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline
CID 125451282
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline?
The IUPAC name of 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) is 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline?
The canonical SMILES for 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline is Nc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1N.
What is the InChIKey of 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline?
The InChIKey is VLOYXVRUCXLBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c22-16-12-14(20-24-6-7-25-20)2-4-18(16)28-10-1-11-29-19-5-3-15(13-17(19)23)21-26-8-9-27-21/h2-5,12-13H,1,6-11,22-23H2,(H,24,25)(H,26,27).
What are the key properties of 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline?
2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline has a molecular weight of 394.48 g/mol, XLogP of 1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-amino-4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]-5-(4,5-dihydro-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 44573802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).