2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole

C29H34N4O — CID 10647394

IUPAC2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole
SMILESc1ccc(C(OCCN2CCN(CCCc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4O/c1-3-10-24(11-4-1)29(25-12-5-2-6-13-25)34-23-22-33-20-18-32(19-21-33)17-9-16-28-30-26-14-7-8-15-27(26)31-28/h1-8,10-15,29H,9,16-23H2,(H,30,31)
InChIKeyJZFUGVVDFKRRDX-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.92
Rot. Bonds10

About 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole

2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole (PubChem CID 10647394) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole
PubChem CID10647394
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC Name2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole
SMILESc1ccc(C(OCCN2CCN(CCCc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4O/c1-3-10-24(11-4-1)29(25-12-5-2-6-13-25)34-23-22-33-20-18-32(19-21-33)17-9-16-28-30-26-14-7-8-15-27(26)31-28/h1-8,10-15,29H,9,16-23H2,(H,30,31)
InChIKeyJZFUGVVDFKRRDX-UHFFFAOYSA-N
XLogP4.92
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole (CID 10647394) is 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole is c1ccc(C(OCCN2CCN(CCCc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The InChIKey is JZFUGVVDFKRRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-3-10-24(11-4-1)29(25-12-5-2-6-13-25)34-23-22-33-20-18-32(19-21-33)17-9-16-28-30-26-14-7-8-15-27(26)31-28/h1-8,10-15,29H,9,16-23H2,(H,30,31).
What are the key properties of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole?
2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole has a molecular weight of 454.62 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-1H-benzimidazole is sourced from PubChem (CID 10647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).