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

C19H21ClN4O2 — CID 11349297

IUPAC5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1
InChIInChI=1S/C19H21ClN4O2/c20-15-3-1-2-4-18(15)24-9-7-23(8-10-24)11-12-26-14-5-6-16-17(13-14)22-19(25)21-16/h1-6,13H,7-12H2,(H2,21,22,25)
InChIKeyOOFZTDDZWQTLSH-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.71
Rot. Bonds5

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

5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 11349297) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID11349297
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1
InChIInChI=1S/C19H21ClN4O2/c20-15-3-1-2-4-18(15)24-9-7-23(8-10-24)11-12-26-14-5-6-16-17(13-14)22-19(25)21-16/h1-6,13H,7-12H2,(H2,21,22,25)
InChIKeyOOFZTDDZWQTLSH-UHFFFAOYSA-N
XLogP2.71
TPSA64.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (CID 11349297) is 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1.
What is the InChIKey of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OOFZTDDZWQTLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-3-1-2-4-18(15)24-9-7-23(8-10-24)11-12-26-14-5-6-16-17(13-14)22-19(25)21-16/h1-6,13H,7-12H2,(H2,21,22,25).
What are the key properties of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 372.86 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11349297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).