1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile

C15H15N5O — CID 115944586

IUPAC1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
SMILESCOc1ccc(C(C(C)N)n2cnc(C#N)c2C#N)cc1
InChIInChI=1S/C15H15N5O/c1-10(18)15(11-3-5-12(21-2)6-4-11)20-9-19-13(7-16)14(20)8-17/h3-6,9-10,15H,18H2,1-2H3
InChIKeyHILUWSBHEXMNEN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile

1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944586) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
PubChem CID115944586
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
SMILESCOc1ccc(C(C(C)N)n2cnc(C#N)c2C#N)cc1
InChIInChI=1S/C15H15N5O/c1-10(18)15(11-3-5-12(21-2)6-4-11)20-9-19-13(7-16)14(20)8-17/h3-6,9-10,15H,18H2,1-2H3
InChIKeyHILUWSBHEXMNEN-UHFFFAOYSA-N
XLogP1.57
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944623
1-[2-amino-1-(3-methylthiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594889
1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594940
1-[2-amino-1-(3-methoxyphenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 115944592
1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 12947421
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
1-pentan-2-ylimidazole-4,5-dicarbonitrile
CID 107887293
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
2-[4-(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)butanedinitrile
CID 67215235
1-[(2-chloro-4-methoxyphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 86794628

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile (CID 115944586) is 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile is COc1ccc(C(C(C)N)n2cnc(C#N)c2C#N)cc1.
What is the InChIKey of 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile?
The InChIKey is HILUWSBHEXMNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(18)15(11-3-5-12(21-2)6-4-11)20-9-19-13(7-16)14(20)8-17/h3-6,9-10,15H,18H2,1-2H3.
What are the key properties of 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile?
1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).