5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one

C20H24N4O3 — CID 11314647

IUPAC5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-26-16-4-2-3-15(13-16)24-9-7-23(8-10-24)11-12-27-17-5-6-18-19(14-17)22-20(25)21-18/h2-6,13-14H,7-12H2,1H3,(H2,21,22,25)
InChIKeyDIYOCPLUZDCNKK-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.07
Rot. Bonds6

About 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one

5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 11314647) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID11314647
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-26-16-4-2-3-15(13-16)24-9-7-23(8-10-24)11-12-27-17-5-6-18-19(14-17)22-20(25)21-18/h2-6,13-14H,7-12H2,1H3,(H2,21,22,25)
InChIKeyDIYOCPLUZDCNKK-UHFFFAOYSA-N
XLogP2.07
TPSA73.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (CID 11314647) is 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is COc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1.
What is the InChIKey of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DIYOCPLUZDCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-16-4-2-3-15(13-16)24-9-7-23(8-10-24)11-12-27-17-5-6-18-19(14-17)22-20(25)21-18/h2-6,13-14H,7-12H2,1H3,(H2,21,22,25).
What are the key properties of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11314647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).