N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C28H25ClN4O6 — CID 10840375

IUPACN-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4Cl)N=C3C)cc2)cc(OC)c1OC
InChIInChI=1S/C28H25ClN4O6/c1-16-30-22(13-18-7-5-6-8-21(18)29)28(36)33(16)32-27(35)17-9-11-20(12-10-17)31-26(34)19-14-23(37-2)25(39-4)24(15-19)38-3/h5-15H,1-4H3,(H,31,34)(H,32,35)/b22-13-
InChIKeyDMHQEHIOZNPLJJ-XKZIYDEJSA-N
MW548.98 g/mol
LogP4.56
Rot. Bonds8

About N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 10840375) has the molecular formula C28H25ClN4O6 and a molecular weight of 548.98 g/mol. Its IUPAC name is N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID10840375
Molecular FormulaC28H25ClN4O6
Molecular Weight548.98 g/mol
Exact Mass548.15
IUPAC NameN-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4Cl)N=C3C)cc2)cc(OC)c1OC
InChIInChI=1S/C28H25ClN4O6/c1-16-30-22(13-18-7-5-6-8-21(18)29)28(36)33(16)32-27(35)17-9-11-20(12-10-17)31-26(34)19-14-23(37-2)25(39-4)24(15-19)38-3/h5-15H,1-4H3,(H,31,34)(H,32,35)/b22-13-
InChIKeyDMHQEHIOZNPLJJ-XKZIYDEJSA-N
XLogP4.56
TPSA118.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.98
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727
4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
CID 5472047
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 10840375) is N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4Cl)N=C3C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DMHQEHIOZNPLJJ-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H25ClN4O6/c1-16-30-22(13-18-7-5-6-8-21(18)29)28(36)33(16)32-27(35)17-9-11-20(12-10-17)31-26(34)19-14-23(37-2)25(39-4)24(15-19)38-3/h5-15H,1-4H3,(H,31,34)(H,32,35)/b22-13-.
What are the key properties of N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 548.98 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 10840375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).