N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide

C25H24N4O2 — CID 122285268

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H24N4O2/c1-18-8-9-19(22-17-29-13-5-12-26-24(29)28-22)16-21(18)27-23(30)25(10-14-31-15-11-25)20-6-3-2-4-7-20/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyBFBSOHWBMGRVHR-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.39
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide (PubChem CID 122285268) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
PubChem CID122285268
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H24N4O2/c1-18-8-9-19(22-17-29-13-5-12-26-24(29)28-22)16-21(18)27-23(30)25(10-14-31-15-11-25)20-6-3-2-4-7-20/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyBFBSOHWBMGRVHR-UHFFFAOYSA-N
XLogP4.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)cyclopropane-1-carboxamide
CID 122283624
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146
(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
CID 121033240
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285278
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide (CID 122285268) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide?
The InChIKey is BFBSOHWBMGRVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-8-9-19(22-17-29-13-5-12-26-24(29)28-22)16-21(18)27-23(30)25(10-14-31-15-11-25)20-6-3-2-4-7-20/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,27,30).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 122285268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).