1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole

C27H30N4 — CID 13105518

IUPAC1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole
SMILESc1ccc(C(c2ccccc2)N2CCN(CCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N4/c1-3-10-23(11-4-1)27(24-12-5-2-6-13-24)30-20-18-29(19-21-30)16-9-17-31-22-28-25-14-7-8-15-26(25)31/h1-8,10-15,22,27H,9,16-21H2
InChIKeyVLRBNROMVPJNJM-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.83
Rot. Bonds7

About 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole

1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole (PubChem CID 13105518) has the molecular formula C27H30N4 and a molecular weight of 410.57 g/mol. Its IUPAC name is 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole.

Molecular Properties

Compound Name1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole
PubChem CID13105518
Molecular FormulaC27H30N4
Molecular Weight410.57 g/mol
Exact Mass410.25
IUPAC Name1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole
SMILESc1ccc(C(c2ccccc2)N2CCN(CCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N4/c1-3-10-23(11-4-1)27(24-12-5-2-6-13-24)30-20-18-29(19-21-30)16-9-17-31-22-28-25-14-7-8-15-26(25)31/h1-8,10-15,22,27H,9,16-21H2
InChIKeyVLRBNROMVPJNJM-UHFFFAOYSA-N
XLogP4.83
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole?
The IUPAC name of 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole (CID 13105518) is 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole.
What is the SMILES notation for 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole?
The canonical SMILES for 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole is c1ccc(C(c2ccccc2)N2CCN(CCCn3cnc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole?
The InChIKey is VLRBNROMVPJNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4/c1-3-10-23(11-4-1)27(24-12-5-2-6-13-24)30-20-18-29(19-21-30)16-9-17-31-22-28-25-14-7-8-15-26(25)31/h1-8,10-15,22,27H,9,16-21H2.
What are the key properties of 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole?
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole has a molecular weight of 410.57 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole is sourced from PubChem (CID 13105518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).