(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one

C22H21N5O2 — CID 25184128

IUPAC(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one
SMILES[H]/N=C1C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)/NC(=O)N/1Cc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15-12-26(14-24-15)19-9-8-17(11-20(19)29-2)10-18-21(23)27(22(28)25-18)13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,25,28)/b18-10-,23-21-
InChIKeyVPIUJSKLQXBNLE-MBCVIIHWSA-N
MW387.44 g/mol
LogP3.73
Rot. Bonds5

About (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one

(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one (PubChem CID 25184128) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one.

Molecular Properties

Compound Name(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one
PubChem CID25184128
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one
SMILES[H]/N=C1C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)/NC(=O)N/1Cc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15-12-26(14-24-15)19-9-8-17(11-20(19)29-2)10-18-21(23)27(22(28)25-18)13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,25,28)/b18-10-,23-21-
InChIKeyVPIUJSKLQXBNLE-MBCVIIHWSA-N
XLogP3.73
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-1-benzyl-4-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-5-iminoimidazolidin-2-one
CID 86668604
(4Z,5E)-5-hydroxyimino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-(1-phenylethyl)imidazolidin-2-one
CID 25184856
(5E)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
1-[1-(4-fluorophenyl)ethyl]-6-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-diazinane-2,4-dione
CID 74401895
(5Z)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-(3-nitrosopropylimino)imidazolidin-4-one
CID 143785611
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
1-[(4-fluorophenyl)methyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6-dimethylpiperidin-2-one
CID 66961251
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 58548909
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-6-phenylpiperidin-2-one
CID 66961525
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one?
The IUPAC name of (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one (CID 25184128) is (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one.
What is the SMILES notation for (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one?
The canonical SMILES for (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one is [H]/N=C1C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)/NC(=O)N/1Cc1ccccc1.
What is the InChIKey of (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one?
The InChIKey is VPIUJSKLQXBNLE-MBCVIIHWSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-12-26(14-24-15)19-9-8-17(11-20(19)29-2)10-18-21(23)27(22(28)25-18)13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,25,28)/b18-10-,23-21-.
What are the key properties of (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one?
(4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-benzyl-5-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-2-one is sourced from PubChem (CID 25184128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).