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

C17H26N4O — CID 3071010

IUPAC1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole
SMILESCCOCCn1c(N2CCN(CC)CC2)nc2ccccc21
InChIInChI=1S/C17H26N4O/c1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2/h5-8H,3-4,9-14H2,1-2H3
InChIKeyLJZULGTXNLQGEB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.21
Rot. Bonds6

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

1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole (PubChem CID 3071010) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole
PubChem CID3071010
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole
SMILESCCOCCn1c(N2CCN(CC)CC2)nc2ccccc21
InChIInChI=1S/C17H26N4O/c1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2/h5-8H,3-4,9-14H2,1-2H3
InChIKeyLJZULGTXNLQGEB-UHFFFAOYSA-N
XLogP2.21
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.21
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-ethylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole (CID 3071010) is 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole is CCOCCn1c(N2CCN(CC)CC2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole?
The InChIKey is LJZULGTXNLQGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole?
1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole has a molecular weight of 302.42 g/mol, XLogP of 2.21, 6 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-ethylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 3071010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).