1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole

C16H24N4O — CID 3071004

IUPAC1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCCOCCn1c(N2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
InChIKeyGARASDOODWWZMF-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole

1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole (PubChem CID 3071004) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole
PubChem CID3071004
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCCOCCn1c(N2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
InChIKeyGARASDOODWWZMF-UHFFFAOYSA-N
XLogP1.82
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole (CID 3071004) is 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole is CCOCCn1c(N2CCN(C)CC2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole?
The InChIKey is GARASDOODWWZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole?
1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole has a molecular weight of 288.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 3071004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).