1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

C14H21N3O — CID 79514440

IUPAC1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cccc(OC)c1
InChIInChI=1S/C14H21N3O/c1-4-10(2)17-13(9-16-14(17)15)11-6-5-7-12(8-11)18-3/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16)
InChIKeyJBHQRJOUGZTQGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds4

About 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514440) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514440
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cccc(OC)c1
InChIInChI=1S/C14H21N3O/c1-4-10(2)17-13(9-16-14(17)15)11-6-5-7-12(8-11)18-3/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16)
InChIKeyJBHQRJOUGZTQGS-UHFFFAOYSA-N
XLogP2.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-5-(2-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514508
5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 79501536
1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79503034
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114867777
5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498860
1-ethyl-5-(6-methoxynaphthalen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79509948
1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514595
1-butan-2-yl-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514744
1-(3-methoxyphenyl)-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
CID 79514418
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 102845787
1-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79502172

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79514440) is 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1cccc(OC)c1.
What is the InChIKey of 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JBHQRJOUGZTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-10(2)17-13(9-16-14(17)15)11-6-5-7-12(8-11)18-3/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.17, 4 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-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).