4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine

C17H25N3 — CID 106563183

IUPAC4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C17H25N3/c1-14(2)12-20-13-15(3)19-17(20)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyLGQJYCDHKDNPMT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds7

About 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine (PubChem CID 106563183) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
PubChem CID106563183
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C17H25N3/c1-14(2)12-20-13-15(3)19-17(20)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyLGQJYCDHKDNPMT-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
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 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine (CID 106563183) is 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(NCCCc2ccccc2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine?
The InChIKey is LGQJYCDHKDNPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)12-20-13-15(3)19-17(20)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine is sourced from PubChem (CID 106563183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).