5-(4-chlorophenyl)-1-heptylimidazol-2-amine

C16H22ClN3 — CID 50941026

IUPAC5-(4-chlorophenyl)-1-heptylimidazol-2-amine
SMILESCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C16H22ClN3/c1-2-3-4-5-6-11-20-15(12-19-16(20)18)13-7-9-14(17)10-8-13/h7-10,12H,2-6,11H2,1H3,(H2,18,19)
InChIKeyMUJXXQQOXWFENW-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.76
Rot. Bonds7

About 5-(4-chlorophenyl)-1-heptylimidazol-2-amine

5-(4-chlorophenyl)-1-heptylimidazol-2-amine (PubChem CID 50941026) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-heptylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-heptylimidazol-2-amine
PubChem CID50941026
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name5-(4-chlorophenyl)-1-heptylimidazol-2-amine
SMILESCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C16H22ClN3/c1-2-3-4-5-6-11-20-15(12-19-16(20)18)13-7-9-14(17)10-8-13/h7-10,12H,2-6,11H2,1H3,(H2,18,19)
InChIKeyMUJXXQQOXWFENW-UHFFFAOYSA-N
XLogP4.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-heptylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-heptylimidazol-2-amine (CID 50941026) is 5-(4-chlorophenyl)-1-heptylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-heptylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-heptylimidazol-2-amine is CCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-heptylimidazol-2-amine?
The InChIKey is MUJXXQQOXWFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-3-4-5-6-11-20-15(12-19-16(20)18)13-7-9-14(17)10-8-13/h7-10,12H,2-6,11H2,1H3,(H2,18,19).
What are the key properties of 5-(4-chlorophenyl)-1-heptylimidazol-2-amine?
5-(4-chlorophenyl)-1-heptylimidazol-2-amine has a molecular weight of 291.83 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-heptylimidazol-2-amine is sourced from PubChem (CID 50941026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).