1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole

C26H33FN6 — CID 142149514

IUPAC1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
SMILESCCc1nc2cc(CN3CCN(C)CC3)ccc2n1CC.Fc1cccc(-n2cccn2)c1
InChIInChI=1S/C17H26N4.C9H7FN2/c1-4-17-18-15-12-14(6-7-16(15)21(17)5-2)13-20-10-8-19(3)9-11-20;10-8-3-1-4-9(7-8)12-6-2-5-11-12/h6-7,12H,4-5,8-11,13H2,1-3H3;1-7H
InChIKeyJLLMZPIXUHXMEG-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.38
Rot. Bonds5

About 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole

1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole (PubChem CID 142149514) has the molecular formula C26H33FN6 and a molecular weight of 448.59 g/mol. Its IUPAC name is 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
PubChem CID142149514
Molecular FormulaC26H33FN6
Molecular Weight448.59 g/mol
Exact Mass448.28
IUPAC Name1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
SMILESCCc1nc2cc(CN3CCN(C)CC3)ccc2n1CC.Fc1cccc(-n2cccn2)c1
InChIInChI=1S/C17H26N4.C9H7FN2/c1-4-17-18-15-12-14(6-7-16(15)21(17)5-2)13-20-10-8-19(3)9-11-20;10-8-3-1-4-9(7-8)12-6-2-5-11-12/h6-7,12H,4-5,8-11,13H2,1-3H3;1-7H
InChIKeyJLLMZPIXUHXMEG-UHFFFAOYSA-N
XLogP4.38
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole?
The IUPAC name of 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole (CID 142149514) is 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole is CCc1nc2cc(CN3CCN(C)CC3)ccc2n1CC.Fc1cccc(-n2cccn2)c1.
What is the InChIKey of 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole?
The InChIKey is JLLMZPIXUHXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4.C9H7FN2/c1-4-17-18-15-12-14(6-7-16(15)21(17)5-2)13-20-10-8-19(3)9-11-20;10-8-3-1-4-9(7-8)12-6-2-5-11-12/h6-7,12H,4-5,8-11,13H2,1-3H3;1-7H.
What are the key properties of 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole?
1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole has a molecular weight of 448.59 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 142149514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).