1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile

C15H14N4O2 — CID 69238133

IUPAC1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
SMILESCn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3
InChIKeyCGZXUBUMMUWPDZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile

1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile (PubChem CID 69238133) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
PubChem CID69238133
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
SMILESCn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3
InChIKeyCGZXUBUMMUWPDZ-UHFFFAOYSA-N
XLogP1.32
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile 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

5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726922
3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726915
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholin-3-one
CID 178121637
2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
5-(3,4-dichlorophenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 175323070
6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726923
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile (CID 69238133) is 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile is Cn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The InChIKey is CGZXUBUMMUWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3.
What are the key properties of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile is sourced from PubChem (CID 69238133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).