4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid

C18H23N3O3 — CID 174650434

IUPAC4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid
SMILESCc1ccc(-n2c(N3CCOCC3)cnc2CCCC(=O)O)cc1
InChIInChI=1S/C18H23N3O3/c1-14-5-7-15(8-6-14)21-16(3-2-4-18(22)23)19-13-17(21)20-9-11-24-12-10-20/h5-8,13H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyJRVMOKVMWIAUOV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.42
Rot. Bonds6

About 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid

4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid (PubChem CID 174650434) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid
PubChem CID174650434
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid
SMILESCc1ccc(-n2c(N3CCOCC3)cnc2CCCC(=O)O)cc1
InChIInChI=1S/C18H23N3O3/c1-14-5-7-15(8-6-14)21-16(3-2-4-18(22)23)19-13-17(21)20-9-11-24-12-10-20/h5-8,13H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyJRVMOKVMWIAUOV-UHFFFAOYSA-N
XLogP2.42
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid 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

4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84740194
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
dodecanedioic acid;1,4-xylene
CID 66586315
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
4-[5-(2-bromoprop-2-enylsulfanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 60561451

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid?
The IUPAC name of 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid (CID 174650434) is 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid?
The canonical SMILES for 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid is Cc1ccc(-n2c(N3CCOCC3)cnc2CCCC(=O)O)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid?
The InChIKey is JRVMOKVMWIAUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-5-7-15(8-6-14)21-16(3-2-4-18(22)23)19-13-17(21)20-9-11-24-12-10-20/h5-8,13H,2-4,9-12H2,1H3,(H,22,23).
What are the key properties of 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid?
4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid is sourced from PubChem (CID 174650434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).