1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole

C24H30N4O3 — CID 57264340

IUPAC1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole
SMILESCCOc1ccc2c(c1)ncn2CCCN1CCN(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H30N4O3/c1-2-29-20-5-6-22-21(17-20)25-18-28(22)9-3-8-26-10-12-27(13-11-26)19-4-7-23-24(16-19)31-15-14-30-23/h4-7,16-18H,2-3,8-15H2,1H3
InChIKeyAFSJVVHGATZHDY-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.42
Rot. Bonds7

About 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole

1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole (PubChem CID 57264340) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole.

Molecular Properties

Compound Name1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole
PubChem CID57264340
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole
SMILESCCOc1ccc2c(c1)ncn2CCCN1CCN(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H30N4O3/c1-2-29-20-5-6-22-21(17-20)25-18-28(22)9-3-8-26-10-12-27(13-11-26)19-4-7-23-24(16-19)31-15-14-30-23/h4-7,16-18H,2-3,8-15H2,1H3
InChIKeyAFSJVVHGATZHDY-UHFFFAOYSA-N
XLogP3.42
TPSA51.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole 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

1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-6-methoxybenzimidazole
CID 57036607
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carbonitrile
CID 57176462
4-(6-bromobenzimidazol-1-yl)butan-1-amine;6-bromo-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]benzimidazole
CID 67856390
3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]benzimidazol-5-amine;1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-6-nitrobenzimidazole
CID 67856456
1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-7-nitrobenzimidazole
CID 57285092
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]-4-fluorobenzimidazole;2-(4-fluorobenzimidazol-1-yl)ethanamine
CID 67856498
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-1-yl]ethanamine
CID 98021183
7-[10-[4-(3-ethoxyphenyl)piperazin-1-yl]decyl]-1,3-dimethylpurine-2,6-dione
CID 70525913
2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
CID 83972284
1-(1,3-benzodioxol-5-yl)-4-(2-isocyanoethyl)piperazine
CID 3530598
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-6-methoxy-1H-indole;3-(6-methoxy-1H-indol-3-yl)propan-1-amine
CID 67856424
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole?
The IUPAC name of 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole (CID 57264340) is 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole.
What is the SMILES notation for 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole?
The canonical SMILES for 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole is CCOc1ccc2c(c1)ncn2CCCN1CCN(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole?
The InChIKey is AFSJVVHGATZHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-29-20-5-6-22-21(17-20)25-18-28(22)9-3-8-26-10-12-27(13-11-26)19-4-7-23-24(16-19)31-15-14-30-23/h4-7,16-18H,2-3,8-15H2,1H3.
What are the key properties of 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole?
1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole has a molecular weight of 422.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-5-ethoxybenzimidazole is sourced from PubChem (CID 57264340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).