(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

C14H14BrN3O — CID 115649635

IUPAC(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCCc1ncc[nH]1
InChIInChI=1S/C14H14BrN3O/c15-12-4-2-1-3-11(12)5-6-14(19)18-8-7-13-16-9-10-17-13/h1-6,9-10H,7-8H2,(H,16,17)(H,18,19)/b6-5+
InChIKeyUQZMQIVKOSABSB-AATRIKPKSA-N
MW320.19 g/mol
LogP2.54
Rot. Bonds5

About (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 115649635) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
PubChem CID115649635
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCCc1ncc[nH]1
InChIInChI=1S/C14H14BrN3O/c15-12-4-2-1-3-11(12)5-6-14(19)18-8-7-13-16-9-10-17-13/h1-6,9-10H,7-8H2,(H,16,17)(H,18,19)/b6-5+
InChIKeyUQZMQIVKOSABSB-AATRIKPKSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.54
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

(E)-3-(2-bromo-4-methylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115668397
(E)-3-(2,4-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115668495
3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 171776527
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649605
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 166214968
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649595
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-3-(2-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 9165843
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (CID 115649635) is (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1Br)NCCc1ncc[nH]1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is UQZMQIVKOSABSB-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-4-2-1-3-11(12)5-6-14(19)18-8-7-13-16-9-10-17-13/h1-6,9-10H,7-8H2,(H,16,17)(H,18,19)/b6-5+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 320.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 115649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).