4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline

C18H20N4 — CID 82559230

IUPAC4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
SMILESCN(C)c1ccc(-c2nccn2Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N4/c1-21(2)17-9-5-15(6-10-17)18-20-11-12-22(18)13-14-3-7-16(19)8-4-14/h3-12H,13,19H2,1-2H3
InChIKeyDBYIQPACHDLVEZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.25
Rot. Bonds4

About 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline

4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline (PubChem CID 82559230) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
PubChem CID82559230
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
SMILESCN(C)c1ccc(-c2nccn2Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N4/c1-21(2)17-9-5-15(6-10-17)18-20-11-12-22(18)13-14-3-7-16(19)8-4-14/h3-12H,13,19H2,1-2H3
InChIKeyDBYIQPACHDLVEZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline?
The IUPAC name of 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline (CID 82559230) is 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline?
The canonical SMILES for 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline is CN(C)c1ccc(-c2nccn2Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline?
The InChIKey is DBYIQPACHDLVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21(2)17-9-5-15(6-10-17)18-20-11-12-22(18)13-14-3-7-16(19)8-4-14/h3-12H,13,19H2,1-2H3.
What are the key properties of 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline?
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline has a molecular weight of 292.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82559230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).