2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C18H19N5O2 — CID 82562939

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ccc(N2CCN(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)nc1
InChIInChI=1S/C18H19N5O2/c1-2-4-19-17(3-1)22-5-7-23(8-6-22)18-20-13-11-15-16(12-14(13)21-18)25-10-9-24-15/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyQNKIJWUEBQSNHB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 82562939) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID82562939
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ccc(N2CCN(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)nc1
InChIInChI=1S/C18H19N5O2/c1-2-4-19-17(3-1)22-5-7-23(8-6-22)18-20-13-11-15-16(12-14(13)21-18)25-10-9-24-15/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyQNKIJWUEBQSNHB-UHFFFAOYSA-N
XLogP2.06
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 82562731
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 17375184
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 113198678
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172
5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135911496
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110344471
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 82562939) is 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1ccc(N2CCN(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is QNKIJWUEBQSNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-4-19-17(3-1)22-5-7-23(8-6-22)18-20-13-11-15-16(12-14(13)21-18)25-10-9-24-15/h1-4,11-12H,5-10H2,(H,20,21).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 337.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 82562939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).