N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C24H30ClN5O3 — CID 6602682

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCCn1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21.Cl
InChIInChI=1S/C24H29N5O3.ClH/c1-2-9-29-20-6-4-3-5-19(20)26-24(29)28-12-10-27(11-13-28)17-23(30)25-18-7-8-21-22(16-18)32-15-14-31-21;/h3-8,16H,2,9-15,17H2,1H3,(H,25,30);1H
InChIKeyKKXUSPCQDDEKSW-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.40
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6602682) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6602682
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCCn1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21.Cl
InChIInChI=1S/C24H29N5O3.ClH/c1-2-9-29-20-6-4-3-5-19(20)26-24(29)28-12-10-27(11-13-28)17-23(30)25-18-7-8-21-22(16-18)32-15-14-31-21;/h3-8,16H,2,9-15,17H2,1H3,(H,25,30);1H
InChIKeyKKXUSPCQDDEKSW-UHFFFAOYSA-N
XLogP3.40
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.40
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-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 6602682) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is CCCn1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is KKXUSPCQDDEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.ClH/c1-2-9-29-20-6-4-3-5-19(20)26-24(29)28-12-10-27(11-13-28)17-23(30)25-18-7-8-21-22(16-18)32-15-14-31-21;/h3-8,16H,2,9-15,17H2,1H3,(H,25,30);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 471.99 g/mol, XLogP of 3.40, 6 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-propylbenzimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6602682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).