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

C32H34N6 — CID 162656368

IUPAC5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine
SMILESC/C(=C/c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C32H34N6/c1-24(21-25-11-5-2-6-12-25)22-38-23-29(36-37-38)15-9-4-10-16-30-31(35-32(33)34-30)28-19-17-27(18-20-28)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-21,23H,4,9-10,15-16,22H2,1H3,(H3,33,34,35)/b24-21-
InChIKeySYWLUEXQVYYFEY-FLFQWRMESA-N
MW502.67 g/mol
LogP6.98
Rot. Bonds11

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

5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine (PubChem CID 162656368) has the molecular formula C32H34N6 and a molecular weight of 502.67 g/mol. Its IUPAC name is 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine
PubChem CID162656368
Molecular FormulaC32H34N6
Molecular Weight502.67 g/mol
Exact Mass502.28
IUPAC Name5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine
SMILESC/C(=C/c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C32H34N6/c1-24(21-25-11-5-2-6-12-25)22-38-23-29(36-37-38)15-9-4-10-16-30-31(35-32(33)34-30)28-19-17-27(18-20-28)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-21,23H,4,9-10,15-16,22H2,1H3,(H3,33,34,35)/b24-21-
InChIKeySYWLUEXQVYYFEY-FLFQWRMESA-N
XLogP6.98
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 56.98
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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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine (CID 162656368) is 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine is C/C(=C/c1ccccc1)Cn1cc(CCCCCc2[nH]c(N)nc2-c2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine?
The InChIKey is SYWLUEXQVYYFEY-FLFQWRMESA-N. The full InChI is InChI=1S/C32H34N6/c1-24(21-25-11-5-2-6-12-25)22-38-23-29(36-37-38)15-9-4-10-16-30-31(35-32(33)34-30)28-19-17-27(18-20-28)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-21,23H,4,9-10,15-16,22H2,1H3,(H3,33,34,35)/b24-21-.
What are the key properties of 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine?
5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine has a molecular weight of 502.67 g/mol, XLogP of 6.98, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(Z)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-4-(4-phenylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 162656368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).