N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

C16H14N4O2 — CID 131903838

IUPACN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC1Cc2cc(NC(=O)c3cn4cccnc4n3)ccc2O1
InChIInChI=1S/C16H14N4O2/c1-10-7-11-8-12(3-4-14(11)22-10)18-15(21)13-9-20-6-2-5-17-16(20)19-13/h2-6,8-10H,7H2,1H3,(H,18,21)
InChIKeyNLNYSFBKUQSMFB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.31
Rot. Bonds2

About N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 131903838) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID131903838
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC1Cc2cc(NC(=O)c3cn4cccnc4n3)ccc2O1
InChIInChI=1S/C16H14N4O2/c1-10-7-11-8-12(3-4-14(11)22-10)18-15(21)13-9-20-6-2-5-17-16(20)19-13/h2-6,8-10H,7H2,1H3,(H,18,21)
InChIKeyNLNYSFBKUQSMFB-UHFFFAOYSA-N
XLogP2.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 131903838) is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is CC1Cc2cc(NC(=O)c3cn4cccnc4n3)ccc2O1.
What is the InChIKey of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NLNYSFBKUQSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-7-11-8-12(3-4-14(11)22-10)18-15(21)13-9-20-6-2-5-17-16(20)19-13/h2-6,8-10H,7H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 131903838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).