1-octyl-N-phenylimidazol-2-amine

C17H25N3 — CID 106578848

IUPAC1-octyl-N-phenylimidazol-2-amine
SMILESCCCCCCCCn1ccnc1Nc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-10-14-20-15-13-18-17(20)19-16-11-8-7-9-12-16/h7-9,11-13,15H,2-6,10,14H2,1H3,(H,18,19)
InChIKeyDVNAURCATFUZKM-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.99
Rot. Bonds9

About 1-octyl-N-phenylimidazol-2-amine

1-octyl-N-phenylimidazol-2-amine (PubChem CID 106578848) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-octyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-octyl-N-phenylimidazol-2-amine
PubChem CID106578848
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-octyl-N-phenylimidazol-2-amine
SMILESCCCCCCCCn1ccnc1Nc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-10-14-20-15-13-18-17(20)19-16-11-8-7-9-12-16/h7-9,11-13,15H,2-6,10,14H2,1H3,(H,18,19)
InChIKeyDVNAURCATFUZKM-UHFFFAOYSA-N
XLogP4.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.99
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-dodecyl-N-methylimidazol-2-amine
CID 57016020
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
CID 106554048
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine
CID 106577158
N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
CID 106579677
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491

Frequently Asked Questions

What is the IUPAC name of 1-octyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-octyl-N-phenylimidazol-2-amine (CID 106578848) is 1-octyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-octyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-octyl-N-phenylimidazol-2-amine is CCCCCCCCn1ccnc1Nc1ccccc1.
What is the InChIKey of 1-octyl-N-phenylimidazol-2-amine?
The InChIKey is DVNAURCATFUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-5-6-10-14-20-15-13-18-17(20)19-16-11-8-7-9-12-16/h7-9,11-13,15H,2-6,10,14H2,1H3,(H,18,19).
What are the key properties of 1-octyl-N-phenylimidazol-2-amine?
1-octyl-N-phenylimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106578848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).