3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline

C21H24N4O — CID 71913498

IUPAC3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline
SMILESCn1ccnc1-c1cccc(NCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H24N4O/c1-24-10-9-22-21(24)17-6-4-7-19(15-17)23-16-18-5-2-3-8-20(18)25-11-13-26-14-12-25/h2-10,15,23H,11-14,16H2,1H3
InChIKeyCHIRDSYXHNBIOP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.54
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline

3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline (PubChem CID 71913498) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline
PubChem CID71913498
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline
SMILESCn1ccnc1-c1cccc(NCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H24N4O/c1-24-10-9-22-21(24)17-6-4-7-19(15-17)23-16-18-5-2-3-8-20(18)25-11-13-26-14-12-25/h2-10,15,23H,11-14,16H2,1H3
InChIKeyCHIRDSYXHNBIOP-UHFFFAOYSA-N
XLogP3.54
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline 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 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline?
The IUPAC name of 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline (CID 71913498) is 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline is Cn1ccnc1-c1cccc(NCc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline?
The InChIKey is CHIRDSYXHNBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-10-9-22-21(24)17-6-4-7-19(15-17)23-16-18-5-2-3-8-20(18)25-11-13-26-14-12-25/h2-10,15,23H,11-14,16H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline?
3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline has a molecular weight of 348.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline is sourced from PubChem (CID 71913498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).