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

C21H29N7 — CID 53359804

IUPAC5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESC/C(=C\c1ccc(CN)cc1)Cn1cc(CCCCCc2cnc(N)[nH]2)nn1
InChIInChI=1S/C21H29N7/c1-16(11-17-7-9-18(12-22)10-8-17)14-28-15-20(26-27-28)6-4-2-3-5-19-13-24-21(23)25-19/h7-11,13,15H,2-6,12,14,22H2,1H3,(H3,23,24,25)/b16-11+
InChIKeyOFCNEXUHNAPBIJ-LFIBNONCSA-N
MW379.51 g/mol
LogP3.10
Rot. Bonds10

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

5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (PubChem CID 53359804) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
PubChem CID53359804
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESC/C(=C\c1ccc(CN)cc1)Cn1cc(CCCCCc2cnc(N)[nH]2)nn1
InChIInChI=1S/C21H29N7/c1-16(11-17-7-9-18(12-22)10-8-17)14-28-15-20(26-27-28)6-4-2-3-5-19-13-24-21(23)25-19/h7-11,13,15H,2-6,12,14,22H2,1H3,(H3,23,24,25)/b16-11+
InChIKeyOFCNEXUHNAPBIJ-LFIBNONCSA-N
XLogP3.10
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide
CID 53360818
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 56838715
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;hydrochloride
CID 67064244
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
CID 58264428

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine (CID 53359804) is 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is C/C(=C\c1ccc(CN)cc1)Cn1cc(CCCCCc2cnc(N)[nH]2)nn1.
What is the InChIKey of 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The InChIKey is OFCNEXUHNAPBIJ-LFIBNONCSA-N. The full InChI is InChI=1S/C21H29N7/c1-16(11-17-7-9-18(12-22)10-8-17)14-28-15-20(26-27-28)6-4-2-3-5-19-13-24-21(23)25-19/h7-11,13,15H,2-6,12,14,22H2,1H3,(H3,23,24,25)/b16-11+.
What are the key properties of 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine?
5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine has a molecular weight of 379.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine is sourced from PubChem (CID 53359804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).