(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide

C13H17N3O — CID 144920996

IUPAC(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c1-3-4-5-6-11(2)13(17)15-8-7-12-9-14-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,16)(H,15,17)/b4-3-,6-5-
InChIKeyHERAYCPZOBWSLP-OUPQRBNQSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds6

About (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide

(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide (PubChem CID 144920996) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide
PubChem CID144920996
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c1-3-4-5-6-11(2)13(17)15-8-7-12-9-14-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,16)(H,15,17)/b4-3-,6-5-
InChIKeyHERAYCPZOBWSLP-OUPQRBNQSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide 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

N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
(2R)-2-(hexa-2,4-dienoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894210
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide (CID 144920996) is (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C=C/C)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide?
The InChIKey is HERAYCPZOBWSLP-OUPQRBNQSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-5-6-11(2)13(17)15-8-7-12-9-14-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,16)(H,15,17)/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide?
(3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide has a molecular weight of 231.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 144920996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).