N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

C20H14N4O3 — CID 3240486

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14N4O3/c25-19(14-5-6-17-18(10-14)27-12-26-17)22-15-4-1-3-13(9-15)16-11-24-8-2-7-21-20(24)23-16/h1-11H,12H2,(H,22,25)
InChIKeyYVLOIHRTXCDULQ-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.38
Rot. Bonds3

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 3240486) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID3240486
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14N4O3/c25-19(14-5-6-17-18(10-14)27-12-26-17)22-15-4-1-3-13(9-15)16-11-24-8-2-7-21-20(24)23-16/h1-11H,12H2,(H,22,25)
InChIKeyYVLOIHRTXCDULQ-UHFFFAOYSA-N
XLogP3.38
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (CID 3240486) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is YVLOIHRTXCDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-19(14-5-6-17-18(10-14)27-12-26-17)22-15-4-1-3-13(9-15)16-11-24-8-2-7-21-20(24)23-16/h1-11H,12H2,(H,22,25).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3240486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).