5-phenyl-1-tridecylimidazol-2-amine

C22H35N3 — CID 50941022

IUPAC5-phenyl-1-tridecylimidazol-2-amine
SMILESCCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C22H35N3/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-21(19-24-22(25)23)20-16-13-12-14-17-20/h12-14,16-17,19H,2-11,15,18H2,1H3,(H2,23,24)
InChIKeyLJHSZXJNDUIHMH-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.44
Rot. Bonds13

About 5-phenyl-1-tridecylimidazol-2-amine

5-phenyl-1-tridecylimidazol-2-amine (PubChem CID 50941022) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 5-phenyl-1-tridecylimidazol-2-amine.

Molecular Properties

Compound Name5-phenyl-1-tridecylimidazol-2-amine
PubChem CID50941022
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name5-phenyl-1-tridecylimidazol-2-amine
SMILESCCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C22H35N3/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-21(19-24-22(25)23)20-16-13-12-14-17-20/h12-14,16-17,19H,2-11,15,18H2,1H3,(H2,23,24)
InChIKeyLJHSZXJNDUIHMH-UHFFFAOYSA-N
XLogP6.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-5-phenylimidazol-2-amine
CID 6917245
5-(4-phenylphenyl)-1-undecylimidazol-2-amine
CID 50941063
5-(4-chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
CID 50941055
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210
1-butyl-6-phenylpyrimidin-2-one
CID 102529038
CID 57069232
CID 57069232
3-hexyl-4-phenyl-1,3-thiazole-2-thione
CID 118667967
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413
1-pentyl-2-phenylindole
CID 54214068
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-tridecylimidazol-2-amine?
The IUPAC name of 5-phenyl-1-tridecylimidazol-2-amine (CID 50941022) is 5-phenyl-1-tridecylimidazol-2-amine.
What is the SMILES notation for 5-phenyl-1-tridecylimidazol-2-amine?
The canonical SMILES for 5-phenyl-1-tridecylimidazol-2-amine is CCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 5-phenyl-1-tridecylimidazol-2-amine?
The InChIKey is LJHSZXJNDUIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-21(19-24-22(25)23)20-16-13-12-14-17-20/h12-14,16-17,19H,2-11,15,18H2,1H3,(H2,23,24).
What are the key properties of 5-phenyl-1-tridecylimidazol-2-amine?
5-phenyl-1-tridecylimidazol-2-amine has a molecular weight of 341.54 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-tridecylimidazol-2-amine is sourced from PubChem (CID 50941022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).