1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea

C24H27N5O4 — CID 78150707

IUPAC1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
SMILESCn1ccnc1CN1C(=O)COC(c2ccc(NC(=O)NCc3ccccc3)cc2)C1CO
InChIInChI=1S/C24H27N5O4/c1-28-12-11-25-21(28)14-29-20(15-30)23(33-16-22(29)31)18-7-9-19(10-8-18)27-24(32)26-13-17-5-3-2-4-6-17/h2-12,20,23,30H,13-16H2,1H3,(H2,26,27,32)
InChIKeyKSKWENWHASHCRI-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.20
Rot. Bonds7

About 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea

1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea (PubChem CID 78150707) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
PubChem CID78150707
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
SMILESCn1ccnc1CN1C(=O)COC(c2ccc(NC(=O)NCc3ccccc3)cc2)C1CO
InChIInChI=1S/C24H27N5O4/c1-28-12-11-25-21(28)14-29-20(15-30)23(33-16-22(29)31)18-7-9-19(10-8-18)27-24(32)26-13-17-5-3-2-4-6-17/h2-12,20,23,30H,13-16H2,1H3,(H2,26,27,32)
InChIKeyKSKWENWHASHCRI-UHFFFAOYSA-N
XLogP2.20
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea 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

N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]pyrazine-2-carboxamide
CID 78150731
1-benzyl-3-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 71693505
1-benzyl-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150664
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 78150737
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
CID 78150344
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 71693600
1-tert-butyl-3-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 78150552

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea (CID 78150707) is 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea is Cn1ccnc1CN1C(=O)COC(c2ccc(NC(=O)NCc3ccccc3)cc2)C1CO.
What is the InChIKey of 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea?
The InChIKey is KSKWENWHASHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-28-12-11-25-21(28)14-29-20(15-30)23(33-16-22(29)31)18-7-9-19(10-8-18)27-24(32)26-13-17-5-3-2-4-6-17/h2-12,20,23,30H,13-16H2,1H3,(H2,26,27,32).
What are the key properties of 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea?
1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea has a molecular weight of 449.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea is sourced from PubChem (CID 78150707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).