4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline

C25H26N4O2 — CID 59057560

IUPAC4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(N(C)C)cc3)[nH]c2-c2ccc(OCN)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-29(2)20-10-4-19(5-11-20)25-27-23(17-6-12-21(30-3)13-7-17)24(28-25)18-8-14-22(15-9-18)31-16-26/h4-15H,16,26H2,1-3H3,(H,27,28)
InChIKeyGCOFCFWFXXRSNB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.78
Rot. Bonds7

About 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline

4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline (PubChem CID 59057560) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
PubChem CID59057560
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(N(C)C)cc3)[nH]c2-c2ccc(OCN)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-29(2)20-10-4-19(5-11-20)25-27-23(17-6-12-21(30-3)13-7-17)24(28-25)18-8-14-22(15-9-18)31-16-26/h4-15H,16,26H2,1-3H3,(H,27,28)
InChIKeyGCOFCFWFXXRSNB-UHFFFAOYSA-N
XLogP4.78
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Fenflumizole
CID 68917
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
N-{3-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825361
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-phenylpiperazine-1-sulfonamide
CID 24825369
{[(3R)-1-benzylpyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825370
{[(3S)-1-benzylpyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825371

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline (CID 59057560) is 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline is COc1ccc(-c2nc(-c3ccc(N(C)C)cc3)[nH]c2-c2ccc(OCN)cc2)cc1.
What is the InChIKey of 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The InChIKey is GCOFCFWFXXRSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-29(2)20-10-4-19(5-11-20)25-27-23(17-6-12-21(30-3)13-7-17)24(28-25)18-8-14-22(15-9-18)31-16-26/h4-15H,16,26H2,1-3H3,(H,27,28).
What are the key properties of 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline has a molecular weight of 414.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(aminomethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 59057560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).