5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide

C21H25FN4O2 — CID 118944778

IUPAC5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(C2C=C(F)C2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25FN4O2/c1-2-18-19(25-20(24-18)15-11-16(22)12-15)21(27)23-13-14-3-5-17(6-4-14)26-7-9-28-10-8-26/h3-6,11,15H,2,7-10,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRAFUERGOZYSDFB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.08
Rot. Bonds6

About 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide

5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide (PubChem CID 118944778) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide
PubChem CID118944778
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(C2C=C(F)C2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25FN4O2/c1-2-18-19(25-20(24-18)15-11-16(22)12-15)21(27)23-13-14-3-5-17(6-4-14)26-7-9-28-10-8-26/h3-6,11,15H,2,7-10,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRAFUERGOZYSDFB-UHFFFAOYSA-N
XLogP3.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86861797
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136610821

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide (CID 118944778) is 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide is CCc1[nH]c(C2C=C(F)C2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide?
The InChIKey is RAFUERGOZYSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-2-18-19(25-20(24-18)15-11-16(22)12-15)21(27)23-13-14-3-5-17(6-4-14)26-7-9-28-10-8-26/h3-6,11,15H,2,7-10,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide?
5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 118944778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).