N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C33H27N5O2 — CID 25144247

IUPACN-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C33H27N5O2/c39-31(35-17-18-40-28-6-2-1-3-7-28)24-10-8-23(9-11-24)26-20-36-32-37-21-30(38(32)22-26)33(14-15-33)27-12-13-29-25(19-27)5-4-16-34-29/h1-13,16,19-22H,14-15,17-18H2,(H,35,39)
InChIKeyDNLOBYLCKYZXAJ-UHFFFAOYSA-N
MW525.61 g/mol
LogP5.83
Rot. Bonds8

About N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 25144247) has the molecular formula C33H27N5O2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID25144247
Molecular FormulaC33H27N5O2
Molecular Weight525.61 g/mol
Exact Mass525.22
IUPAC NameN-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C33H27N5O2/c39-31(35-17-18-40-28-6-2-1-3-7-28)24-10-8-23(9-11-24)26-20-36-32-37-21-30(38(32)22-26)33(14-15-33)27-12-13-29-25(19-27)5-4-16-34-29/h1-13,16,19-22H,14-15,17-18H2,(H,35,39)
InChIKeyDNLOBYLCKYZXAJ-UHFFFAOYSA-N
XLogP5.83
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 25144247) is N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NCCOc1ccccc1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is DNLOBYLCKYZXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5O2/c39-31(35-17-18-40-28-6-2-1-3-7-28)24-10-8-23(9-11-24)26-20-36-32-37-21-30(38(32)22-26)33(14-15-33)27-12-13-29-25(19-27)5-4-16-34-29/h1-13,16,19-22H,14-15,17-18H2,(H,35,39).
What are the key properties of N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 525.61 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25144247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).