3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide

C28H24N6O — CID 163430415

IUPAC3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCC3n2ccnc2)cc1/C=C/c1cnc2ncccn12
InChIInChI=1S/C28H24N6O/c1-19-3-4-22(15-20(19)5-8-24-17-31-28-30-11-2-13-34(24)28)27(35)32-23-7-9-25-21(16-23)6-10-26(25)33-14-12-29-18-33/h2-5,7-9,11-18,26H,6,10H2,1H3,(H,32,35)/b8-5+
InChIKeyAPZKHURDPOAOIL-VMPITWQZSA-N
MW460.54 g/mol
LogP5.19
Rot. Bonds5

About 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide

3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide (PubChem CID 163430415) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
PubChem CID163430415
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCC3n2ccnc2)cc1/C=C/c1cnc2ncccn12
InChIInChI=1S/C28H24N6O/c1-19-3-4-22(15-20(19)5-8-24-17-31-28-30-11-2-13-34(24)28)27(35)32-23-7-9-25-21(16-23)6-10-26(25)33-14-12-29-18-33/h2-5,7-9,11-18,26H,6,10H2,1H3,(H,32,35)/b8-5+
InChIKeyAPZKHURDPOAOIL-VMPITWQZSA-N
XLogP5.19
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-fluoro-1,2-dihydropyrrolo[2,3-b]pyrazin-5-yl)ethynyl]-4-methyl-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 141392702
N-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775057
5-(2-imidazo[1,2-a]pyrimidin-3-ylethynyl)-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 164956630
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 20824455
N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300468
4-methyl-N-(1-piperazin-1-yl-2,3-dihydro-1H-inden-5-yl)-3-[2-(5H-pyrrolo[2,3-b]pyrazin-2-yl)ethynyl]benzamide
CID 118048903
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080309
(5S)-N-[3-[2-(5-amino-6-methylpyrazin-2-yl)ethynyl]-4-methylphenyl]-5-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 164571291
4-methyl-3-(1-pyridin-3-ylaziridin-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170156523
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The IUPAC name of 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide (CID 163430415) is 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide.
What is the SMILES notation for 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The canonical SMILES for 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3n2ccnc2)cc1/C=C/c1cnc2ncccn12.
What is the InChIKey of 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The InChIKey is APZKHURDPOAOIL-VMPITWQZSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-3-4-22(15-20(19)5-8-24-17-31-28-30-11-2-13-34(24)28)27(35)32-23-7-9-25-21(16-23)6-10-26(25)33-14-12-29-18-33/h2-5,7-9,11-18,26H,6,10H2,1H3,(H,32,35)/b8-5+.
What are the key properties of 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide has a molecular weight of 460.54 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-imidazo[1,2-a]pyrimidin-3-ylethenyl]-N-(1-imidazol-1-yl-2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide is sourced from PubChem (CID 163430415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).