4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one

C19H17ClN4O2 — CID 70707147

IUPAC4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
SMILESO=C(Cn1cnc2ccccc21)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C19H17ClN4O2/c20-14-4-3-5-15(10-14)24-9-8-22(12-19(24)26)18(25)11-23-13-21-16-6-1-2-7-17(16)23/h1-7,10,13H,8-9,11-12H2
InChIKeyDGQRJYJUHYRIKF-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.57
Rot. Bonds3

About 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one

4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one (PubChem CID 70707147) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
PubChem CID70707147
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
SMILESO=C(Cn1cnc2ccccc21)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C19H17ClN4O2/c20-14-4-3-5-15(10-14)24-9-8-22(12-19(24)26)18(25)11-23-13-21-16-6-1-2-7-17(16)23/h1-7,10,13H,8-9,11-12H2
InChIKeyDGQRJYJUHYRIKF-UHFFFAOYSA-N
XLogP2.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
1-(3-chlorophenyl)-4-[2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]piperazin-2-one
CID 96582404
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6,7-dimethoxyquinazolin-4-one
CID 29135161
2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
CID 20569753
2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809506
2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
CID 110445551

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one (CID 70707147) is 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one is O=C(Cn1cnc2ccccc21)N1CCN(c2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one?
The InChIKey is DGQRJYJUHYRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-4-3-5-15(10-14)24-9-8-22(12-19(24)26)18(25)11-23-13-21-16-6-1-2-7-17(16)23/h1-7,10,13H,8-9,11-12H2.
What are the key properties of 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one?
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one has a molecular weight of 368.82 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 70707147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).