5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine

C24H34N6O — CID 53359798

IUPAC5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESCCCCOc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1
InChIInChI=1S/C24H34N6O/c1-3-4-14-31-23-12-10-20(11-13-23)15-19(2)17-30-18-22(28-29-30)9-7-5-6-8-21-16-26-24(25)27-21/h10-13,15-16,18H,3-9,14,17H2,1-2H3,(H3,25,26,27)/b19-15+
InChIKeyOVSRAUXLWHTCSQ-XDJHFCHBSA-N
MW422.58 g/mol
LogP4.82
Rot. Bonds13

About 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine

5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (PubChem CID 53359798) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
PubChem CID53359798
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESCCCCOc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1
InChIInChI=1S/C24H34N6O/c1-3-4-14-31-23-12-10-20(11-13-23)15-19(2)17-30-18-22(28-29-30)9-7-5-6-8-21-16-26-24(25)27-21/h10-13,15-16,18H,3-9,14,17H2,1-2H3,(H3,25,26,27)/b19-15+
InChIKeyOVSRAUXLWHTCSQ-XDJHFCHBSA-N
XLogP4.82
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ucl-1390
CID 6421295
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275
3-(1H-Imidazol-4-yl)propyl 4-(2-(trimethylsilyl)-1-ethynyl)phenyl ether
CID 10780445
1H-Imidazole, 4-[3-[4-(trifluoromethyl)phenoxy]propyl]-
CID 9863682
4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)piperidine
CID 9948238
4-[2-(4-Propylphenoxy)ethyl]-1H-imidazole
CID 10376572
1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 10475883

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (CID 53359798) is 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is CCCCOc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.
What is the InChIKey of 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The InChIKey is OVSRAUXLWHTCSQ-XDJHFCHBSA-N. The full InChI is InChI=1S/C24H34N6O/c1-3-4-14-31-23-12-10-20(11-13-23)15-19(2)17-30-18-22(28-29-30)9-7-5-6-8-21-16-26-24(25)27-21/h10-13,15-16,18H,3-9,14,17H2,1-2H3,(H3,25,26,27)/b19-15+.
What are the key properties of 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine has a molecular weight of 422.58 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is sourced from PubChem (CID 53359798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).