3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine

C17H25N3O — CID 116502908

IUPAC3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
SMILESCCCCn1c(-c2ccccc2)nc(C(C)COC)c1N
InChIInChI=1S/C17H25N3O/c1-4-5-11-20-16(18)15(13(2)12-21-3)19-17(20)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,18H2,1-3H3
InChIKeyLVUUMGAULSTCDI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds7

About 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine

3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine (PubChem CID 116502908) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
PubChem CID116502908
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
SMILESCCCCn1c(-c2ccccc2)nc(C(C)COC)c1N
InChIInChI=1S/C17H25N3O/c1-4-5-11-20-16(18)15(13(2)12-21-3)19-17(20)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,18H2,1-3H3
InChIKeyLVUUMGAULSTCDI-UHFFFAOYSA-N
XLogP3.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine
CID 116502910
3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502906
2-phenyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 62222795
3-butyl-2-ethyl-5-(1-phenylethyl)imidazol-4-amine
CID 62220637
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine
CID 116502877
3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine
CID 114201111
methyl 1-butyl-5-[(dimethylamino)methyl]-2-phenylimidazole-4-carboxylate
CID 58817975
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413
1-butyl-4-(3-methylbutoxy)-2-phenylimidazole
CID 20978281
(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
CID 18437785
3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
CID 62221197

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine (CID 116502908) is 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine is CCCCn1c(-c2ccccc2)nc(C(C)COC)c1N.
What is the InChIKey of 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The InChIKey is LVUUMGAULSTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-5-11-20-16(18)15(13(2)12-21-3)19-17(20)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,18H2,1-3H3.
What are the key properties of 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 116502908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).