5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine

C26H30N4O2 — CID 141128107

IUPAC5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCCCCOc1cc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)ccc1OC
InChIInChI=1S/C26H30N4O2/c1-4-5-14-32-24-16-22(11-12-23(24)31-3)26(18-30(2)25(27)29-26)21-10-6-8-19(15-21)20-9-7-13-28-17-20/h6-13,15-17H,4-5,14,18H2,1-3H3,(H2,27,29)
InChIKeyCTGQFOOZGFYJQM-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.44
Rot. Bonds8

About 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine

5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (PubChem CID 141128107) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
PubChem CID141128107
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCCCCOc1cc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)ccc1OC
InChIInChI=1S/C26H30N4O2/c1-4-5-14-32-24-16-22(11-12-23(24)31-3)26(18-30(2)25(27)29-26)21-10-6-8-19(15-21)20-9-7-13-28-17-20/h6-13,15-17H,4-5,14,18H2,1-3H3,(H2,27,29)
InChIKeyCTGQFOOZGFYJQM-UHFFFAOYSA-N
XLogP4.44
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128116
5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128119
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
5-(2-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 69301033
5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine
CID 90874378
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-(2-propyl-4-pyridinyl)-4H-imidazol-2-amine
CID 141160077
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
1-[3-[3-(2-amino-3-methyl-5-phenyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141178360
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167351

Frequently Asked Questions

What is the IUPAC name of 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (CID 141128107) is 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is CCCCOc1cc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)ccc1OC.
What is the InChIKey of 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The InChIKey is CTGQFOOZGFYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-5-14-32-24-16-22(11-12-23(24)31-3)26(18-30(2)25(27)29-26)21-10-6-8-19(15-21)20-9-7-13-28-17-20/h6-13,15-17H,4-5,14,18H2,1-3H3,(H2,27,29).
What are the key properties of 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine has a molecular weight of 430.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 141128107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).