4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

C19H21BrN4 — CID 25105245

IUPAC4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESBrc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
InChIInChI=1S/C19H21BrN4/c20-17-12-15(13-18-19(17)22-14-21-18)6-7-23-8-10-24(11-9-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,22)
InChIKeyFNBRMLSEYFMCPO-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.69
Rot. Bonds4

About 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 25105245) has the molecular formula C19H21BrN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
PubChem CID25105245
Molecular FormulaC19H21BrN4
Molecular Weight385.31 g/mol
Exact Mass384.09
IUPAC Name4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESBrc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
InChIInChI=1S/C19H21BrN4/c20-17-12-15(13-18-19(17)22-14-21-18)6-7-23-8-10-24(11-9-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,22)
InChIKeyFNBRMLSEYFMCPO-UHFFFAOYSA-N
XLogP3.69
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (CID 25105245) is 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is Brc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12.
What is the InChIKey of 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is FNBRMLSEYFMCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4/c20-17-12-15(13-18-19(17)22-14-21-18)6-7-23-8-10-24(11-9-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,22).
What are the key properties of 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 385.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 25105245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).