1-decyl-5-phenylimidazol-2-amine

C19H29N3 — CID 50941019

IUPAC1-decyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-22-18(16-21-19(22)20)17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3,(H2,20,21)
InChIKeyABNUDPKQACPYET-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.27
Rot. Bonds10

About 1-decyl-5-phenylimidazol-2-amine

1-decyl-5-phenylimidazol-2-amine (PubChem CID 50941019) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-decyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-decyl-5-phenylimidazol-2-amine
PubChem CID50941019
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-decyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-22-18(16-21-19(22)20)17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3,(H2,20,21)
InChIKeyABNUDPKQACPYET-UHFFFAOYSA-N
XLogP5.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.27
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 1-decyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-decyl-5-phenylimidazol-2-amine (CID 50941019) is 1-decyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-decyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-decyl-5-phenylimidazol-2-amine is CCCCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-decyl-5-phenylimidazol-2-amine?
The InChIKey is ABNUDPKQACPYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-22-18(16-21-19(22)20)17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3,(H2,20,21).
What are the key properties of 1-decyl-5-phenylimidazol-2-amine?
1-decyl-5-phenylimidazol-2-amine has a molecular weight of 299.46 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 50941019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).