2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide

C28H29N5O2 — CID 10096137

IUPAC2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide
SMILESCC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C28H29N5O2/c1-19-30-25(18-21-13-15-22(16-14-21)32(2)3)28(35)33(19)26-12-8-7-11-24(26)31-27(34)23(29)17-20-9-5-4-6-10-20/h4-16,18,23H,17,29H2,1-3H3,(H,31,34)/b25-18-
InChIKeyDFJUOKFZWKLRST-BWAHOGKJSA-N
MW467.57 g/mol
LogP4.07
Rot. Bonds7

About 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide

2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide (PubChem CID 10096137) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide
PubChem CID10096137
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide
SMILESCC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C28H29N5O2/c1-19-30-25(18-21-13-15-22(16-14-21)32(2)3)28(35)33(19)26-12-8-7-11-24(26)31-27(34)23(29)17-20-9-5-4-6-10-20/h4-16,18,23H,17,29H2,1-3H3,(H,31,34)/b25-18-
InChIKeyDFJUOKFZWKLRST-BWAHOGKJSA-N
XLogP4.07
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
ethyl 2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate
CID 21230692
2,4,4,4-tetrachloro-N-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]butanamide
CID 6294282
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2R)-2-amino-3-benzylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 22805618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide (CID 10096137) is 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide is CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide?
The InChIKey is DFJUOKFZWKLRST-BWAHOGKJSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-19-30-25(18-21-13-15-22(16-14-21)32(2)3)28(35)33(19)26-12-8-7-11-24(26)31-27(34)23(29)17-20-9-5-4-6-10-20/h4-16,18,23H,17,29H2,1-3H3,(H,31,34)/b25-18-.
What are the key properties of 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide?
2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide has a molecular weight of 467.57 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 10096137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).