2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide

C26H25N3O4 — CID 1274877

IUPAC2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide
SMILESCCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-20-14-12-19(13-15-20)26(2,3)25(31)28-29-23(18-9-6-5-7-10-18)27-22(24(29)30)17-21-11-8-16-33-21/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyWRDICSPQUKRMGX-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.32
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide

2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide (PubChem CID 1274877) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide
PubChem CID1274877
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide
SMILESCCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-20-14-12-19(13-15-20)26(2,3)25(31)28-29-23(18-9-6-5-7-10-18)27-22(24(29)30)17-21-11-8-16-33-21/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyWRDICSPQUKRMGX-UHFFFAOYSA-N
XLogP4.32
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide
CID 1274878
(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
CID 6979120
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
(5E)-3-[[4,6-bis(4-methoxy-2-nitroanilino)-1,3,5-triazin-2-yl]amino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
CID 75539363
4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 75539356
ethyl 1-(4-ethoxyphenyl)-4-(furan-2-ylmethylidene)-2-methyl-5-oxopyrrole-3-carboxylate
CID 4684363
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one
CID 175018278
(3Z)-3-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135748227
(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one
CID 11193081
(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 17466219

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide (CID 1274877) is 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide is CCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide?
The InChIKey is WRDICSPQUKRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-20-14-12-19(13-15-20)26(2,3)25(31)28-29-23(18-9-6-5-7-10-18)27-22(24(29)30)17-21-11-8-16-33-21/h5-17H,4H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide?
2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide has a molecular weight of 443.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 1274877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).