4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine

C19H29N3 — CID 70697488

IUPAC4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine
SMILESCCCCCCc1ccc(-c2nc(N)[nH]c2CC(C)C)cc1
InChIInChI=1S/C19H29N3/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-17(13-14(2)3)21-19(20)22-18/h9-12,14H,4-8,13H2,1-3H3,(H3,20,21,22)
InChIKeyMZKVAAUJANVFGL-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.98
Rot. Bonds8

About 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine

4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine (PubChem CID 70697488) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine
PubChem CID70697488
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine
SMILESCCCCCCc1ccc(-c2nc(N)[nH]c2CC(C)C)cc1
InChIInChI=1S/C19H29N3/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-17(13-14(2)3)21-19(20)22-18/h9-12,14H,4-8,13H2,1-3H3,(H3,20,21,22)
InChIKeyMZKVAAUJANVFGL-UHFFFAOYSA-N
XLogP4.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
CID 70689162
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
CID 82358087
4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
CID 46850530
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine?
The IUPAC name of 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine (CID 70697488) is 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine is CCCCCCc1ccc(-c2nc(N)[nH]c2CC(C)C)cc1.
What is the InChIKey of 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine?
The InChIKey is MZKVAAUJANVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-17(13-14(2)3)21-19(20)22-18/h9-12,14H,4-8,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine?
4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine has a molecular weight of 299.46 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 70697488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).