4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine

C26H29FN6 — CID 56838715

IUPAC4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESC/C(=C\c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C26H29FN6/c1-19(16-20-8-4-2-5-9-20)17-33-18-23(31-32-33)10-6-3-7-11-24-25(30-26(28)29-24)21-12-14-22(27)15-13-21/h2,4-5,8-9,12-16,18H,3,6-7,10-11,17H2,1H3,(H3,28,29,30)/b19-16+
InChIKeyGRWBRVWKHOOIGH-KNTRCKAVSA-N
MW444.56 g/mol
LogP5.45
Rot. Bonds10

About 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine

4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (PubChem CID 56838715) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
PubChem CID56838715
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Name4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESC/C(=C\c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C26H29FN6/c1-19(16-20-8-4-2-5-9-20)17-33-18-23(31-32-33)10-6-3-7-11-24-25(30-26(28)29-24)21-12-14-22(27)15-13-21/h2,4-5,8-9,12-16,18H,3,6-7,10-11,17H2,1H3,(H3,28,29,30)/b19-16+
InChIKeyGRWBRVWKHOOIGH-KNTRCKAVSA-N
XLogP5.45
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide
CID 53360818
5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 53359804
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine;hydrochloride
CID 53359797
tert-butyl 2-amino-4-[5-[1-[2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]ethyl]triazol-4-yl]pentyl]imidazole-1-carboxylate
CID 131728721
ethyl 2-(4-octyltriazol-1-yl)acetate
CID 71590881
2-(4-pentyltriazol-1-yl)-1-phenylethanone
CID 139241367
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538706
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 76639738
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (CID 56838715) is 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is C/C(=C\c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(F)cc2)nn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The InChIKey is GRWBRVWKHOOIGH-KNTRCKAVSA-N. The full InChI is InChI=1S/C26H29FN6/c1-19(16-20-8-4-2-5-9-20)17-33-18-23(31-32-33)10-6-3-7-11-24-25(30-26(28)29-24)21-12-14-22(27)15-13-21/h2,4-5,8-9,12-16,18H,3,6-7,10-11,17H2,1H3,(H3,28,29,30)/b19-16+.
What are the key properties of 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine has a molecular weight of 444.56 g/mol, XLogP of 5.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is sourced from PubChem (CID 56838715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).