(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine

C25H30N6 — CID 142996695

IUPAC(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine
SMILESCCCC1=C(Cn2ccnc2C2=NC=CCC2)N=CN(/C=C(\N)C2=CCC=CC=C2)C1
InChIInChI=1S/C25H30N6/c1-2-9-21-16-30(17-22(26)20-10-5-3-4-6-11-20)19-29-24(21)18-31-15-14-28-25(31)23-12-7-8-13-27-23/h3-5,8,10-11,13-15,17,19H,2,6-7,9,12,16,18,26H2,1H3/b22-17-
InChIKeyXJPJLWOGRDKBLI-XLNRJJMWSA-N
MW414.56 g/mol
LogP4.62
Rot. Bonds7

About (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine

(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine (PubChem CID 142996695) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine.

Molecular Properties

Compound Name(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine
PubChem CID142996695
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine
SMILESCCCC1=C(Cn2ccnc2C2=NC=CCC2)N=CN(/C=C(\N)C2=CCC=CC=C2)C1
InChIInChI=1S/C25H30N6/c1-2-9-21-16-30(17-22(26)20-10-5-3-4-6-11-20)19-29-24(21)18-31-15-14-28-25(31)23-12-7-8-13-27-23/h3-5,8,10-11,13-15,17,19H,2,6-7,9,12,16,18,26H2,1H3/b22-17-
InChIKeyXJPJLWOGRDKBLI-XLNRJJMWSA-N
XLogP4.62
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine with MolForge

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Related Compounds

4-(imidazol-1-ylmethyl)-2-methyl-1H-pyrrolo[2,3-h]quinoline
CID 136244612
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
2-[3-[(2-Butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine
CID 67707134
7-[[2-(6-Fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile
CID 70339066
1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
CID 134525386
N-ethyl-2-[2-[(2Z,4E)-5-fluoropenta-2,4-dienimidoyl]imidazol-1-yl]-N-methyl-N'-prop-1-en-2-ylethanimidamide
CID 142827325
5-ethyl-6-[[2-(3-fluoro-4,5-dihydro-3H-azepin-2-yl)imidazol-1-yl]methyl]-3-(2-methylpropanimidoyl)pyrimidin-4-imine
CID 142996608
N'-[7-[[2-[(4,7-difluorocyclohepta-1,4,6-trien-1-yl)methyl]imidazol-1-yl]methyl]-6-ethyl-4,5-dihydro-1,3-diazepin-3-yl]ethanimidamide
CID 142996740
ethane;2-fluoro-N-[(Z)-prop-1-enyl]ethanimine;(Z)-[2,2,2-trifluoro-1-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]ethylidene]hydrazine
CID 142996741
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
{(1-Methylimidazol-2-yl)methylene}-2-aminoethylpyridine
CID 129818007
1,3-Ditert-butyl-2-(phenylmethyl)imidazol-1-ium;yttrium
CID 134838136

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine?
The IUPAC name of (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine (CID 142996695) is (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine.
What is the SMILES notation for (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine?
The canonical SMILES for (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine is CCCC1=C(Cn2ccnc2C2=NC=CCC2)N=CN(/C=C(\N)C2=CCC=CC=C2)C1.
What is the InChIKey of (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine?
The InChIKey is XJPJLWOGRDKBLI-XLNRJJMWSA-N. The full InChI is InChI=1S/C25H30N6/c1-2-9-21-16-30(17-22(26)20-10-5-3-4-6-11-20)19-29-24(21)18-31-15-14-28-25(31)23-12-7-8-13-27-23/h3-5,8,10-11,13-15,17,19H,2,6-7,9,12,16,18,26H2,1H3/b22-17-.
What are the key properties of (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine?
(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine has a molecular weight of 414.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine is sourced from PubChem (CID 142996695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).