4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile

C26H24N4O2 — CID 11327727

IUPAC4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
SMILESCOc1cccc(-c2cc(N)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)c1
InChIInChI=1S/C26H24N4O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-27)7-9-19)32-16-21-10-11-22(28)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16,28H2,1-2H3
InChIKeyNVTDTBWAXYAWGW-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.86
Rot. Bonds7

About 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile

4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile (PubChem CID 11327727) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
PubChem CID11327727
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
SMILESCOc1cccc(-c2cc(N)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)c1
InChIInChI=1S/C26H24N4O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-27)7-9-19)32-16-21-10-11-22(28)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16,28H2,1-2H3
InChIKeyNVTDTBWAXYAWGW-UHFFFAOYSA-N
XLogP4.86
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-({[4-chloro-2-(3-methoxyphenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10138363
3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 10138658
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-ethoxyphenyl)benzonitrile
CID 10195107
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-methoxyphenyl)benzonitrile
CID 10238214
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(4-methoxyphenyl)benzonitrile
CID 11247532
4-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-methoxyphenyl)benzonitrile
CID 11305084
4-({[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 11374441
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-{[(3,5-difluorophenyl)methyl]amino}benzonitrile
CID 11419991
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 11431774
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-[3-(methoxymethyl)phenyl]benzonitrile
CID 11453686
4-{[(3-chloro-4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-methoxyphenyl)benzonitrile
CID 11454168
4-({[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10226337

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile (CID 11327727) is 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile is COc1cccc(-c2cc(N)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)c1.
What is the InChIKey of 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The InChIKey is NVTDTBWAXYAWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-27)7-9-19)32-16-21-10-11-22(28)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16,28H2,1-2H3.
What are the key properties of 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile has a molecular weight of 424.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile is sourced from PubChem (CID 11327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).