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

C17H19N3O — CID 79498168

IUPAC1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(C2CN=C(N)N2Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-21-15-9-5-8-14(10-15)16-11-19-17(18)20(16)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H2,18,19)
InChIKeyXURDIXPDHTZDDI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.57
Rot. Bonds4

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

1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79498168) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79498168
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(C2CN=C(N)N2Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-21-15-9-5-8-14(10-15)16-11-19-17(18)20(16)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H2,18,19)
InChIKeyXURDIXPDHTZDDI-UHFFFAOYSA-N
XLogP2.57
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79503034
1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514440
1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79498143
1-ethyl-5-(6-methoxynaphthalen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79509948
5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498860
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 102845733
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
CID 79510385
5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496595
5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79502499
methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
CID 102196240

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79498168) is 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is COc1cccc(C2CN=C(N)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XURDIXPDHTZDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-15-9-5-8-14(10-15)16-11-19-17(18)20(16)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H2,18,19).
What are the key properties of 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).