1-heptyl-5-phenylimidazol-2-amine

C16H23N3 — CID 50941016

IUPAC1-heptyl-5-phenylimidazol-2-amine
SMILESCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C16H23N3/c1-2-3-4-5-9-12-19-15(13-18-16(19)17)14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3,(H2,17,18)
InChIKeyRENJSJSOEVFWLZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.10
Rot. Bonds7

About 1-heptyl-5-phenylimidazol-2-amine

1-heptyl-5-phenylimidazol-2-amine (PubChem CID 50941016) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-heptyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-heptyl-5-phenylimidazol-2-amine
PubChem CID50941016
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-heptyl-5-phenylimidazol-2-amine
SMILESCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C16H23N3/c1-2-3-4-5-9-12-19-15(13-18-16(19)17)14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3,(H2,17,18)
InChIKeyRENJSJSOEVFWLZ-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.10
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

CID 1530
CID 1530
CID 77918
CID 77918
CID 83699
CID 83699
CID 71263
CID 71263
CID 69590
CID 69590
CID 5164
CID 5164
CID 5172
CID 5172
CID 51049607
CID 51049607
CID 5310982
CID 5310982
CID 3040177
CID 3040177
CID 12002825
CID 12002825
CID 9989505
CID 9989505

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-heptyl-5-phenylimidazol-2-amine (CID 50941016) is 1-heptyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-heptyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-heptyl-5-phenylimidazol-2-amine is CCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-heptyl-5-phenylimidazol-2-amine?
The InChIKey is RENJSJSOEVFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-4-5-9-12-19-15(13-18-16(19)17)14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3,(H2,17,18).
What are the key properties of 1-heptyl-5-phenylimidazol-2-amine?
1-heptyl-5-phenylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 50941016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).