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

C19H22N4 — CID 44579916

IUPAC6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H22N4/c1-2-4-17(5-3-1)23-12-10-22(11-13-23)9-8-16-6-7-18-19(14-16)21-15-20-18/h1-7,14-15H,8-13H2,(H,20,21)
InChIKeyZEPZMRXUVAISFZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.93
Rot. Bonds4

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

6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 44579916) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
PubChem CID44579916
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H22N4/c1-2-4-17(5-3-1)23-12-10-22(11-13-23)9-8-16-6-7-18-19(14-16)21-15-20-18/h1-7,14-15H,8-13H2,(H,20,21)
InChIKeyZEPZMRXUVAISFZ-UHFFFAOYSA-N
XLogP2.93
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (CID 44579916) is 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is c1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1.
What is the InChIKey of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is ZEPZMRXUVAISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-4-17(5-3-1)23-12-10-22(11-13-23)9-8-16-6-7-18-19(14-16)21-15-20-18/h1-7,14-15H,8-13H2,(H,20,21).
What are the key properties of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 44579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).