4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline

C18H19N3O — CID 57392261

IUPAC4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc([C@H](Cc2ccc(N)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H19N3O/c1-22-17-8-4-15(5-9-17)18(21-11-10-20-13-21)12-14-2-6-16(19)7-3-14/h2-11,13,18H,12,19H2,1H3/t18-/m0/s1
InChIKeyFFFBIUUGDRJGDN-SFHVURJKSA-N
MW293.37 g/mol
LogP3.31
Rot. Bonds5

About 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline

4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 57392261) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline
PubChem CID57392261
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc([C@H](Cc2ccc(N)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H19N3O/c1-22-17-8-4-15(5-9-17)18(21-11-10-20-13-21)12-14-2-6-16(19)7-3-14/h2-11,13,18H,12,19H2,1H3/t18-/m0/s1
InChIKeyFFFBIUUGDRJGDN-SFHVURJKSA-N
XLogP3.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline 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

4-(5-fluoro-3-(4-(2-methyl-1H-imidazol-1-yl)benzyloxy)phenyl)-4-methoxy-3,4,5,6-tetrahydro-2H-pyran
CID 10386055
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(6-Methoxynaphthalen-2-yl)-1H-imidazole
CID 11514098
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
N-(4-chlorophenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956349
N-(4-ethylphenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956355
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
(4-tert-Butyl-3-methoxy-2,6-dimethyl-phenyl)-(1H-imidazol-2-yl)-amine
CID 9795515

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline (CID 57392261) is 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline is COc1ccc([C@H](Cc2ccc(N)cc2)n2ccnc2)cc1.
What is the InChIKey of 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is FFFBIUUGDRJGDN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-8-4-15(5-9-17)18(21-11-10-20-13-21)12-14-2-6-16(19)7-3-14/h2-11,13,18H,12,19H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline?
4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 57392261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).