2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole

C17H24N4O — CID 3071002

IUPAC2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
SMILESC=CCOCCn1c(N2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C17H24N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h3-7H,1,8-14H2,2H3
InChIKeyWYILGPHSTCRCRB-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole

2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole (PubChem CID 3071002) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
PubChem CID3071002
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
SMILESC=CCOCCn1c(N2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C17H24N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h3-7H,1,8-14H2,2H3
InChIKeyWYILGPHSTCRCRB-UHFFFAOYSA-N
XLogP1.99
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole (CID 3071002) is 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole is C=CCOCCn1c(N2CCN(C)CC2)nc2ccccc21.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole?
The InChIKey is WYILGPHSTCRCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h3-7H,1,8-14H2,2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole?
2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole has a molecular weight of 300.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole is sourced from PubChem (CID 3071002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).