3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide

C13H11Cl2N3O — CID 77075438

IUPAC3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)NCc1cnc[nH]1
InChIInChI=1S/C13H11Cl2N3O/c14-10-3-1-9(12(15)5-10)2-4-13(19)17-7-11-6-16-8-18-11/h1-6,8H,7H2,(H,16,18)(H,17,19)
InChIKeyAWOMLSWJDLPAJL-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.05
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide

3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide (PubChem CID 77075438) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
PubChem CID77075438
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)NCc1cnc[nH]1
InChIInChI=1S/C13H11Cl2N3O/c14-10-3-1-9(12(15)5-10)2-4-13(19)17-7-11-6-16-8-18-11/h1-6,8H,7H2,(H,16,18)(H,17,19)
InChIKeyAWOMLSWJDLPAJL-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
(E)-3-(2,4-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 54896919
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747
3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 77022306
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77075442
(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 113290978
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
2-[[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387467
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide (CID 77075438) is 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)NCc1cnc[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The InChIKey is AWOMLSWJDLPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-10-3-1-9(12(15)5-10)2-4-13(19)17-7-11-6-16-8-18-11/h1-6,8H,7H2,(H,16,18)(H,17,19).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide has a molecular weight of 296.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 77075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).