1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine

C16H23N3O — CID 106564087

IUPAC1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(OC)c(C)c1
InChIInChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-7-8-15(20-4)12(2)10-14/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyGDYWMIIIPKNABA-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.05
Rot. Bonds6

About 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine

1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106564087) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106564087
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(OC)c(C)c1
InChIInChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-7-8-15(20-4)12(2)10-14/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyGDYWMIIIPKNABA-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106556095
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine (CID 106564087) is 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1ccc(OC)c(C)c1.
What is the InChIKey of 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is GDYWMIIIPKNABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-7-8-15(20-4)12(2)10-14/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).