1-octyl-5-phenylimidazol-2-amine

C17H25N3 — CID 50941017

IUPAC1-octyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-10-13-20-16(14-19-17(20)18)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H2,18,19)
InChIKeyMUTKNZVISPDHQK-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.49
Rot. Bonds8

About 1-octyl-5-phenylimidazol-2-amine

1-octyl-5-phenylimidazol-2-amine (PubChem CID 50941017) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-octyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-octyl-5-phenylimidazol-2-amine
PubChem CID50941017
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-octyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-10-13-20-16(14-19-17(20)18)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H2,18,19)
InChIKeyMUTKNZVISPDHQK-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.49
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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
1-Benzylimidazole
CID 77918
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
Immethridine
CID 9989505

Frequently Asked Questions

What is the IUPAC name of 1-octyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-octyl-5-phenylimidazol-2-amine (CID 50941017) is 1-octyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-octyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-octyl-5-phenylimidazol-2-amine is CCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-octyl-5-phenylimidazol-2-amine?
The InChIKey is MUTKNZVISPDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-5-6-10-13-20-16(14-19-17(20)18)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H2,18,19).
What are the key properties of 1-octyl-5-phenylimidazol-2-amine?
1-octyl-5-phenylimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 50941017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).