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

C11H13N5O — CID 6443545

IUPAC(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N5O/c17-11(2-1-9-5-12-7-15-9)14-4-3-10-6-13-8-16-10/h1-2,5-8H,3-4H2,(H,12,15)(H,13,16)(H,14,17)/b2-1+
InChIKeyRYFPSMUWVMCWSD-OWOJBTEDSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds5

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

(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (PubChem CID 6443545) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
PubChem CID6443545
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N5O/c17-11(2-1-9-5-12-7-15-9)14-4-3-10-6-13-8-16-10/h1-2,5-8H,3-4H2,(H,12,15)(H,13,16)(H,14,17)/b2-1+
InChIKeyRYFPSMUWVMCWSD-OWOJBTEDSA-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

N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 171776527
(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 115344385
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
N-[2-(1H-imidazol-5-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 77021910
3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 77022306
6-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]hexanoic acid
CID 129303294
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (CID 6443545) is (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is O=C(/C=C/c1cnc[nH]1)NCCc1cnc[nH]1.
What is the InChIKey of (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is RYFPSMUWVMCWSD-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H13N5O/c17-11(2-1-9-5-12-7-15-9)14-4-3-10-6-13-8-16-10/h1-2,5-8H,3-4H2,(H,12,15)(H,13,16)(H,14,17)/b2-1+.
What are the key properties of (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-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 (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 6443545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).