3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile

C15H16N4O2 — CID 107470107

IUPAC3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
SMILESCOc1cccc(C#N)c1-n1cncc1C1CNCCO1
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-11(7-16)15(13)19-10-18-8-12(19)14-9-17-5-6-21-14/h2-4,8,10,14,17H,5-6,9H2,1H3
InChIKeyVAHGACFXQKHUGI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.41
Rot. Bonds3

About 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile

3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile (PubChem CID 107470107) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
PubChem CID107470107
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
SMILESCOc1cccc(C#N)c1-n1cncc1C1CNCCO1
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-11(7-16)15(13)19-10-18-8-12(19)14-9-17-5-6-21-14/h2-4,8,10,14,17H,5-6,9H2,1H3
InChIKeyVAHGACFXQKHUGI-UHFFFAOYSA-N
XLogP1.41
TPSA72.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile 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-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721626
3-bromo-4-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107795804
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
2-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-3-methoxybenzonitrile
CID 107470126
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 107470112
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
CID 117340234
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile?
The IUPAC name of 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile (CID 107470107) is 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile?
The canonical SMILES for 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile is COc1cccc(C#N)c1-n1cncc1C1CNCCO1.
What is the InChIKey of 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile?
The InChIKey is VAHGACFXQKHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-4-2-3-11(7-16)15(13)19-10-18-8-12(19)14-9-17-5-6-21-14/h2-4,8,10,14,17H,5-6,9H2,1H3.
What are the key properties of 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile?
3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 107470107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).