(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide

C23H24ClN3O3 — CID 47074568

IUPAC(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H24ClN3O3/c1-4-18(23-25-14-19(27-23)16-8-6-5-7-9-16)26-21(28)11-10-15-12-17(24)22(30-3)20(13-15)29-2/h5-14,18H,4H2,1-3H3,(H,25,27)(H,26,28)/b11-10+
InChIKeyOUBZWBDGDWXLAW-ZHACJKMWSA-N
MW425.92 g/mol
LogP5.03
Rot. Bonds8

About (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide (PubChem CID 47074568) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide
PubChem CID47074568
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H24ClN3O3/c1-4-18(23-25-14-19(27-23)16-8-6-5-7-9-16)26-21(28)11-10-15-12-17(24)22(30-3)20(13-15)29-2/h5-14,18H,4H2,1-3H3,(H,25,27)(H,26,28)/b11-10+
InChIKeyOUBZWBDGDWXLAW-ZHACJKMWSA-N
XLogP5.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide 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

(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 95304316
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315187
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
ethyl 3-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoylamino]-3-(3-methoxyphenyl)propanoate
CID 55877831
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55382707
(E)-N-[1-(4-methylphenyl)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55338673
(2R)-2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]-3-methylbutanamide
CID 95323151
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylprop-2-enamide
CID 24680923
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9477731
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9263046
3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 78775732

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide (CID 47074568) is (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide is CCC(NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is OUBZWBDGDWXLAW-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-4-18(23-25-14-19(27-23)16-8-6-5-7-9-16)26-21(28)11-10-15-12-17(24)22(30-3)20(13-15)29-2/h5-14,18H,4H2,1-3H3,(H,25,27)(H,26,28)/b11-10+.
What are the key properties of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide?
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 425.92 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 47074568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).