5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine

C18H29N3 — CID 79500616

IUPAC5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCCCCCCC1(C)CN=C(N)N1c1ccccc1C
InChIInChI=1S/C18H29N3/c1-4-5-6-7-10-13-18(3)14-20-17(19)21(18)16-12-9-8-11-15(16)2/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H2,19,20)
InChIKeyGPQOCBWCSBAQSI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.25
Rot. Bonds7

About 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine

5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79500616) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
PubChem CID79500616
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCCCCCCC1(C)CN=C(N)N1c1ccccc1C
InChIInChI=1S/C18H29N3/c1-4-5-6-7-10-13-18(3)14-20-17(19)21(18)16-12-9-8-11-15(16)2/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H2,19,20)
InChIKeyGPQOCBWCSBAQSI-UHFFFAOYSA-N
XLogP4.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.25
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 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine (CID 79500616) is 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine is CCCCCCCC1(C)CN=C(N)N1c1ccccc1C.
What is the InChIKey of 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is GPQOCBWCSBAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-5-6-7-10-13-18(3)14-20-17(19)21(18)16-12-9-8-11-15(16)2/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H2,19,20).
What are the key properties of 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79500616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).