N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H19N5O3 — CID 177233182

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(-c3nc4ccccc4[nH]3)cc12
InChIInChI=1S/C24H19N5O3/c30-22(12-14-5-8-20-21(11-14)32-10-9-31-20)27-24-16-13-15(6-7-17(16)28-29-24)23-25-18-3-1-2-4-19(18)26-23/h1-8,11,13H,9-10,12H2,(H,25,26)(H2,27,28,29,30)
InChIKeyWJFVQONJEDWTAA-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.06
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 177233182) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID177233182
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(-c3nc4ccccc4[nH]3)cc12
InChIInChI=1S/C24H19N5O3/c30-22(12-14-5-8-20-21(11-14)32-10-9-31-20)27-24-16-13-15(6-7-17(16)28-29-24)23-25-18-3-1-2-4-19(18)26-23/h1-8,11,13H,9-10,12H2,(H,25,26)(H2,27,28,29,30)
InChIKeyWJFVQONJEDWTAA-UHFFFAOYSA-N
XLogP4.06
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide
CID 177233186
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(4-methyl-1,3-thiazol-5-yl)-1H-indazol-3-yl]acetamide
CID 177233494
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
CID 177233354
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
CID 142656167
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 177233182) is N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(-c3nc4ccccc4[nH]3)cc12.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is WJFVQONJEDWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c30-22(12-14-5-8-20-21(11-14)32-10-9-31-20)27-24-16-13-15(6-7-17(16)28-29-24)23-25-18-3-1-2-4-19(18)26-23/h1-8,11,13H,9-10,12H2,(H,25,26)(H2,27,28,29,30).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 425.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 177233182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).