N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide

C20H19ClN4O5 — CID 136908108

IUPACN-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2c(Cl)[nH]c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H19ClN4O5/c1-28-15-9-12(10-16(29-2)17(15)30-3)19(26)24-22-11-14-18(21)23-20(27)25(14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,27)(H,24,26)/b22-11-
InChIKeyVBGINNAKHGQRCC-JJFYIABZSA-N
MW430.85 g/mol
LogP2.61
Rot. Bonds7

About N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide

N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 136908108) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID136908108
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC NameN-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2c(Cl)[nH]c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H19ClN4O5/c1-28-15-9-12(10-16(29-2)17(15)30-3)19(26)24-22-11-14-18(21)23-20(27)25(14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,27)(H,24,26)/b22-11-
InChIKeyVBGINNAKHGQRCC-JJFYIABZSA-N
XLogP2.61
TPSA106.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6013916
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide (CID 136908108) is N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N/N=C\c2c(Cl)[nH]c(=O)n2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is VBGINNAKHGQRCC-JJFYIABZSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c1-28-15-9-12(10-16(29-2)17(15)30-3)19(26)24-22-11-14-18(21)23-20(27)25(14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,27)(H,24,26)/b22-11-.
What are the key properties of N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 430.85 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 136908108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).