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

C27H30N4O3 — CID 42618260

IUPAC1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1
InChIInChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3
InChIKeySVPQTGJCGMMFHR-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.63
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (PubChem CID 42618260) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
PubChem CID42618260
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCOc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1
InChIInChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3
InChIKeySVPQTGJCGMMFHR-UHFFFAOYSA-N
XLogP3.63
TPSA51.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.63
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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (CID 42618260) is 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The InChIKey is SVPQTGJCGMMFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one has a molecular weight of 458.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).