3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one

C19H21ClN4O2 — CID 71194090

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-14-3-1-4-15(13-14)23-10-7-22(8-11-23)9-12-24-18-16(21-19(24)26)5-2-6-17(18)25/h1-6,13,25H,7-12H2,(H,21,26)
InChIKeyHAWIRFRDJLZCNU-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one (PubChem CID 71194090) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one
PubChem CID71194090
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-14-3-1-4-15(13-14)23-10-7-22(8-11-23)9-12-24-18-16(21-19(24)26)5-2-6-17(18)25/h1-6,13,25H,7-12H2,(H,21,26)
InChIKeyHAWIRFRDJLZCNU-UHFFFAOYSA-N
XLogP2.51
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one (CID 71194090) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one?
The InChIKey is HAWIRFRDJLZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-14-3-1-4-15(13-14)23-10-7-22(8-11-23)9-12-24-18-16(21-19(24)26)5-2-6-17(18)25/h1-6,13,25H,7-12H2,(H,21,26).
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one has a molecular weight of 372.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 71194090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).