3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

C11H13N5O — CID 171776527

IUPAC3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1cnc[nH]1)NCCc1ncc[nH]1
InChIInChI=1S/C11H13N5O/c17-11(2-1-9-7-12-8-16-9)15-4-3-10-13-5-6-14-10/h1-2,5-8H,3-4H2,(H,12,16)(H,13,14)(H,15,17)
InChIKeyYCNOOXOYSOLTHS-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 171776527) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
PubChem CID171776527
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1cnc[nH]1)NCCc1ncc[nH]1
InChIInChI=1S/C11H13N5O/c17-11(2-1-9-7-12-8-16-9)15-4-3-10-13-5-6-14-10/h1-2,5-8H,3-4H2,(H,12,16)(H,13,14)(H,15,17)
InChIKeyYCNOOXOYSOLTHS-UHFFFAOYSA-N
XLogP0.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649635
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
(E)-3-(2,4-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115668495
6-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]hexanoic acid
CID 129303294
(E)-3-(2-bromo-4-methylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115668397
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649605
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649595
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 166214968
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 1178

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (CID 171776527) is 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is O=C(C=Cc1cnc[nH]1)NCCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is YCNOOXOYSOLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c17-11(2-1-9-7-12-8-16-9)15-4-3-10-13-5-6-14-10/h1-2,5-8H,3-4H2,(H,12,16)(H,13,14)(H,15,17).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 231.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 171776527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).