1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one

C28H32N4O3 — CID 42618261

IUPAC1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1
InChIInChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3
InChIKeyRDKWEZMEUOXORN-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.02
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one

1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one (PubChem CID 42618261) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one
PubChem CID42618261
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1
InChIInChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3
InChIKeyRDKWEZMEUOXORN-UHFFFAOYSA-N
XLogP4.02
TPSA51.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one (CID 42618261) is 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one is COc1ccc(-n2c(=O)n(CCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one?
The InChIKey is RDKWEZMEUOXORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one?
1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one has a molecular weight of 472.59 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzimidazol-2-one is sourced from PubChem (CID 42618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).