1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine

C20H24N4 — CID 167056460

IUPAC1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine
SMILESC=CN(C)c1ccccc1N(C)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C20H24N4/c1-5-22(2)18-8-6-7-9-19(18)24(4)17-12-10-16(11-13-17)20-21-14-15-23(20)3/h5-13H,1,14-15H2,2-4H3
InChIKeyAGDUQFNLPXAESI-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.73
Rot. Bonds5

About 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine

1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine (PubChem CID 167056460) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine
PubChem CID167056460
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine
SMILESC=CN(C)c1ccccc1N(C)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C20H24N4/c1-5-22(2)18-8-6-7-9-19(18)24(4)17-12-10-16(11-13-17)20-21-14-15-23(20)3/h5-13H,1,14-15H2,2-4H3
InChIKeyAGDUQFNLPXAESI-UHFFFAOYSA-N
XLogP3.73
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine (CID 167056460) is 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine is C=CN(C)c1ccccc1N(C)c1ccc(C2=NCCN2C)cc1.
What is the InChIKey of 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine?
The InChIKey is AGDUQFNLPXAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-5-22(2)18-8-6-7-9-19(18)24(4)17-12-10-16(11-13-17)20-21-14-15-23(20)3/h5-13H,1,14-15H2,2-4H3.
What are the key properties of 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine?
1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine has a molecular weight of 320.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-1-N,2-N-dimethyl-2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 167056460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).