N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide

C24H29N5O3 — CID 655894

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O3/c1-17(2)29-20-6-4-3-5-19(20)26-24(29)28-11-9-27(10-12-28)16-23(30)25-18-7-8-21-22(15-18)32-14-13-31-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyFXDXMAPESNIJRJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.15
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 655894) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID655894
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O3/c1-17(2)29-20-6-4-3-5-19(20)26-24(29)28-11-9-27(10-12-28)16-23(30)25-18-7-8-21-22(15-18)32-14-13-31-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyFXDXMAPESNIJRJ-UHFFFAOYSA-N
XLogP3.15
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide (CID 655894) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide is CC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FXDXMAPESNIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17(2)29-20-6-4-3-5-19(20)26-24(29)28-11-9-27(10-12-28)16-23(30)25-18-7-8-21-22(15-18)32-14-13-31-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 655894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).