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

C19H18N4O2 — CID 10404643

IUPAC2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)CN
InChIInChI=1S/C19H18N4O2/c1-13-21-16(11-14-7-3-2-4-8-14)19(25)23(13)17-10-6-5-9-15(17)22-18(24)12-20/h2-11H,12,20H2,1H3,(H,22,24)/b16-11-
InChIKeyACSIQWXYMPSXPP-WJDWOHSUSA-N
MW334.38 g/mol
LogP2.39
Rot. Bonds4

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

2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide (PubChem CID 10404643) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide
PubChem CID10404643
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)CN
InChIInChI=1S/C19H18N4O2/c1-13-21-16(11-14-7-3-2-4-8-14)19(25)23(13)17-10-6-5-9-15(17)22-18(24)12-20/h2-11H,12,20H2,1H3,(H,22,24)/b16-11-
InChIKeyACSIQWXYMPSXPP-WJDWOHSUSA-N
XLogP2.39
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.39
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]propanamide
CID 10315724
2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide
CID 10096137
2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
ethyl 2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetate
CID 14176152
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
CID 3059590
N-(3-chloro-2-methylphenyl)-3-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanamide
CID 21233184
4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447270
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
CID 6148052
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4645830
N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
CID 102114892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide (CID 10404643) is 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide is CC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1NC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide?
The InChIKey is ACSIQWXYMPSXPP-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-21-16(11-14-7-3-2-4-8-14)19(25)23(13)17-10-6-5-9-15(17)22-18(24)12-20/h2-11H,12,20H2,1H3,(H,22,24)/b16-11-.
What are the key properties of 2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide?
2-amino-N-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.39, 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]acetamide is sourced from PubChem (CID 10404643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).