1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one

C26H28N4O2 — CID 42618256

IUPAC1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
InChIKeyCMQRRXFYEQIMCT-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one

1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 42618256) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
PubChem CID42618256
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
InChIKeyCMQRRXFYEQIMCT-UHFFFAOYSA-N
XLogP3.62
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (CID 42618256) is 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is CMQRRXFYEQIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 428.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).