2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine

C24H24N6O — CID 70248549

IUPAC2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine
SMILESc1cnc2nc(N3CCN(Cc4cnc(-c5ccc6c(c5)CCO6)[nH]4)CC3)ccc2c1
InChIInChI=1S/C24H24N6O/c1-2-17-4-6-22(28-23(17)25-8-1)30-11-9-29(10-12-30)16-20-15-26-24(27-20)19-3-5-21-18(14-19)7-13-31-21/h1-6,8,14-15H,7,9-13,16H2,(H,26,27)
InChIKeyMTRRHANXNASSNN-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.28
Rot. Bonds4

About 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine

2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine (PubChem CID 70248549) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine
PubChem CID70248549
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine
SMILESc1cnc2nc(N3CCN(Cc4cnc(-c5ccc6c(c5)CCO6)[nH]4)CC3)ccc2c1
InChIInChI=1S/C24H24N6O/c1-2-17-4-6-22(28-23(17)25-8-1)30-11-9-29(10-12-30)16-20-15-26-24(27-20)19-3-5-21-18(14-19)7-13-31-21/h1-6,8,14-15H,7,9-13,16H2,(H,26,27)
InChIKeyMTRRHANXNASSNN-UHFFFAOYSA-N
XLogP3.28
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine
CID 10135286
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine
CID 10270773
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide
CID 70250578
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1H-imidazol-4-yl]methyl]-4-methylpiperazine;ethane;molecular iodine
CID 157369796
4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149949
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111562426
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine?
The IUPAC name of 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine (CID 70248549) is 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine is c1cnc2nc(N3CCN(Cc4cnc(-c5ccc6c(c5)CCO6)[nH]4)CC3)ccc2c1.
What is the InChIKey of 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine?
The InChIKey is MTRRHANXNASSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-2-17-4-6-22(28-23(17)25-8-1)30-11-9-29(10-12-30)16-20-15-26-24(27-20)19-3-5-21-18(14-19)7-13-31-21/h1-6,8,14-15H,7,9-13,16H2,(H,26,27).
What are the key properties of 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine?
2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine has a molecular weight of 412.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine is sourced from PubChem (CID 70248549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).