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

C26H28N4O — CID 42618254

IUPAC1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)30-25-14-8-7-13-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
InChIKeyDOKHWFSPWQFHMG-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.92
Rot. Bonds5

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

1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 42618254) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
PubChem CID42618254
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)30-25-14-8-7-13-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
InChIKeyDOKHWFSPWQFHMG-UHFFFAOYSA-N
XLogP3.92
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (CID 42618254) is 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is Cc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is DOKHWFSPWQFHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)30-25-14-8-7-13-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 412.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).