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

C18H27N3 — CID 106572129

IUPAC4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCC(C)c2ccccc2)n1
InChIInChI=1S/C18H27N3/c1-14(2)12-21-13-16(4)20-18(21)19-11-10-15(3)17-8-6-5-7-9-17/h5-9,13-15H,10-12H2,1-4H3,(H,19,20)
InChIKeyAIPGDSIXGOZTQH-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.45
Rot. Bonds7

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

4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine (PubChem CID 106572129) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine
PubChem CID106572129
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCC(C)c2ccccc2)n1
InChIInChI=1S/C18H27N3/c1-14(2)12-21-13-16(4)20-18(21)19-11-10-15(3)17-8-6-5-7-9-17/h5-9,13-15H,10-12H2,1-4H3,(H,19,20)
InChIKeyAIPGDSIXGOZTQH-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-phenylbutyl)-N-propylimidazol-2-amine
CID 106572132
4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
CID 106563183
4-methyl-1-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554402
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106559563
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577993
4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106579067
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
4-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106574352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine (CID 106572129) is 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine is Cc1cn(CC(C)C)c(NCCC(C)c2ccccc2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine?
The InChIKey is AIPGDSIXGOZTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)12-21-13-16(4)20-18(21)19-11-10-15(3)17-8-6-5-7-9-17/h5-9,13-15H,10-12H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.45, 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-phenylbutyl)imidazol-2-amine is sourced from PubChem (CID 106572129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).