2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile

C15H18N4O — CID 66131417

IUPAC2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
SMILESCCCn1cncc1C(C#N)Nc1ccc(OC)cc1
InChIInChI=1S/C15H18N4O/c1-3-8-19-11-17-10-15(19)14(9-16)18-12-4-6-13(20-2)7-5-12/h4-7,10-11,14,18H,3,8H2,1-2H3
InChIKeyLGLDOFMQTYIZJE-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile

2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile (PubChem CID 66131417) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
PubChem CID66131417
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
SMILESCCCn1cncc1C(C#N)Nc1ccc(OC)cc1
InChIInChI=1S/C15H18N4O/c1-3-8-19-11-17-10-15(19)14(9-16)18-12-4-6-13(20-2)7-5-12/h4-7,10-11,14,18H,3,8H2,1-2H3
InChIKeyLGLDOFMQTYIZJE-UHFFFAOYSA-N
XLogP2.98
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile 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

2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131811
methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
CID 66133074
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
2-(4-methoxyanilino)-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
CID 60988173
2-bromo-2-(3-propylimidazol-4-yl)acetonitrile
CID 83085488
2-amino-2-(3-propylimidazol-4-yl)acetonitrile
CID 66130812
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
2-(4-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 66163813
3-ethyl-2-(4-methoxyanilino)pentanenitrile
CID 61318503

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile (CID 66131417) is 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile is CCCn1cncc1C(C#N)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile?
The InChIKey is LGLDOFMQTYIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-8-19-11-17-10-15(19)14(9-16)18-12-4-6-13(20-2)7-5-12/h4-7,10-11,14,18H,3,8H2,1-2H3.
What are the key properties of 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile?
2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 66131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).