2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide

C20H20N4O2 — CID 10315724

IUPAC2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)C(C)N
InChIInChI=1S/C20H20N4O2/c1-13(21)19(25)23-16-10-6-7-11-18(16)24-14(2)22-17(20(24)26)12-15-8-4-3-5-9-15/h3-13H,21H2,1-2H3,(H,23,25)/b17-12-
InChIKeyUICGCEJDRWWYET-ATVHPVEESA-N
MW348.41 g/mol
LogP2.78
Rot. Bonds4

About 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide

2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide (PubChem CID 10315724) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide
PubChem CID10315724
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)C(C)N
InChIInChI=1S/C20H20N4O2/c1-13(21)19(25)23-16-10-6-7-11-18(16)24-14(2)22-17(20(24)26)12-15-8-4-3-5-9-15/h3-13H,21H2,1-2H3,(H,23,25)/b17-12-
InChIKeyUICGCEJDRWWYET-ATVHPVEESA-N
XLogP2.78
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide
CID 10404643
2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide
CID 10096137
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447270
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide?
The IUPAC name of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide (CID 10315724) is 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide is CC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide?
The InChIKey is UICGCEJDRWWYET-ATVHPVEESA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(21)19(25)23-16-10-6-7-11-18(16)24-14(2)22-17(20(24)26)12-15-8-4-3-5-9-15/h3-13H,21H2,1-2H3,(H,23,25)/b17-12-.
What are the key properties of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide?
2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 10315724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).