1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine

C16H25N3O — CID 79514284

IUPAC1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCCOc1ccc(C2(C)CN=C(N)N2C(C)CC)cc1
InChIInChI=1S/C16H25N3O/c1-5-12(3)19-15(17)18-11-16(19,4)13-7-9-14(10-8-13)20-6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyJRXKMWJBMJFFFA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.73
Rot. Bonds5

About 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine

1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79514284) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79514284
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCCOc1ccc(C2(C)CN=C(N)N2C(C)CC)cc1
InChIInChI=1S/C16H25N3O/c1-5-12(3)19-15(17)18-11-16(19,4)13-7-9-14(10-8-13)20-6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyJRXKMWJBMJFFFA-UHFFFAOYSA-N
XLogP2.73
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79514448
1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine
CID 79503010
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79505096
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79497892
1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496
5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
CID 79498451
5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79510559
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79498282
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine (CID 79514284) is 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine is CCOc1ccc(C2(C)CN=C(N)N2C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is JRXKMWJBMJFFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-12(3)19-15(17)18-11-16(19,4)13-7-9-14(10-8-13)20-6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,17,18).
What are the key properties of 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(4-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79514284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).