(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane

C26H30N4O — CID 143143723

IUPAC(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane
SMILESC=CC(C=C(C#N)/C=C(C)/C=C/C(=O)NC1CCc2ccccc21)n1ccnc1.CC
InChIInChI=1S/C24H24N4O.C2H6/c1-3-21(28-13-12-26-17-28)15-19(16-25)14-18(2)8-11-24(29)27-23-10-9-20-6-4-5-7-22(20)23;1-2/h3-8,11-15,17,21,23H,1,9-10H2,2H3,(H,27,29);1-2H3/b11-8+,18-14+,19-15?;
InChIKeyPQSPYACPRICIKB-FNIJVURGSA-N
MW414.55 g/mol
LogP5.39
Rot. Bonds7

About (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane

(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane (PubChem CID 143143723) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane.

Molecular Properties

Compound Name(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane
PubChem CID143143723
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane
SMILESC=CC(C=C(C#N)/C=C(C)/C=C/C(=O)NC1CCc2ccccc21)n1ccnc1.CC
InChIInChI=1S/C24H24N4O.C2H6/c1-3-21(28-13-12-26-17-28)15-19(16-25)14-18(2)8-11-24(29)27-23-10-9-20-6-4-5-7-22(20)23;1-2/h3-8,11-15,17,21,23H,1,9-10H2,2H3,(H,27,29);1-2H3/b11-8+,18-14+,19-15?;
InChIKeyPQSPYACPRICIKB-FNIJVURGSA-N
XLogP5.39
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
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CID 41082816
(3R)-3-imidazol-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]hexanamide
CID 41082819
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
CID 146100955
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CID 47126975
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CID 17491802
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51334157
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane?
The IUPAC name of (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane (CID 143143723) is (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane.
What is the SMILES notation for (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane?
The canonical SMILES for (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane is C=CC(C=C(C#N)/C=C(C)/C=C/C(=O)NC1CCc2ccccc21)n1ccnc1.CC.
What is the InChIKey of (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane?
The InChIKey is PQSPYACPRICIKB-FNIJVURGSA-N. The full InChI is InChI=1S/C24H24N4O.C2H6/c1-3-21(28-13-12-26-17-28)15-19(16-25)14-18(2)8-11-24(29)27-23-10-9-20-6-4-5-7-22(20)23;1-2/h3-8,11-15,17,21,23H,1,9-10H2,2H3,(H,27,29);1-2H3/b11-8+,18-14+,19-15?;.
What are the key properties of (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane?
(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane has a molecular weight of 414.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane is sourced from PubChem (CID 143143723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).