N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine

C16H23N3O — CID 106574831

IUPACN-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
SMILESCCCC(COC)Nc1nc(C)cn1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-4-8-14(12-20-3)18-16-17-13(2)11-19(16)15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12H2,1-3H3,(H,17,18)
InChIKeyMVVWYPZUQABUCW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.41
Rot. Bonds7

About N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine

N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106574831) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
PubChem CID106574831
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
SMILESCCCC(COC)Nc1nc(C)cn1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-4-8-14(12-20-3)18-16-17-13(2)11-19(16)15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12H2,1-3H3,(H,17,18)
InChIKeyMVVWYPZUQABUCW-UHFFFAOYSA-N
XLogP3.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
CID 106567770
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106554234
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
N-(1-methoxybutan-2-yl)-1,4-dimethylimidazol-2-amine
CID 106574698
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558735
N-(4-bromophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558632
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
1-(3-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106576229
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine (CID 106574831) is N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine is CCCC(COC)Nc1nc(C)cn1-c1ccccc1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is MVVWYPZUQABUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-14(12-20-3)18-16-17-13(2)11-19(16)15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12H2,1-3H3,(H,17,18).
What are the key properties of N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine?
N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106574831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).