3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one

C22H26Cl2N4O — CID 165128018

IUPAC3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H26Cl2N4O/c23-17-8-9-20(18(24)16-17)27-14-12-26(13-15-27)10-4-1-5-11-28-21-7-3-2-6-19(21)25-22(28)29/h2-3,6-9,16H,1,4-5,10-15H2,(H,25,29)
InChIKeyOPWXQBUQTBZEOV-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.63
Rot. Bonds7

About 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one

3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one (PubChem CID 165128018) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
PubChem CID165128018
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H26Cl2N4O/c23-17-8-9-20(18(24)16-17)27-14-12-26(13-15-27)10-4-1-5-11-28-21-7-3-2-6-19(21)25-22(28)29/h2-3,6-9,16H,1,4-5,10-15H2,(H,25,29)
InChIKeyOPWXQBUQTBZEOV-UHFFFAOYSA-N
XLogP4.63
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Domperidone
CID 3151
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 104607
Clodazon
CID 20883
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-phenyl-
CID 649443
Benzimidazolone scaffold, 15g
CID 25256850
Benzimidazolone scaffold, 15m
CID 25256855
Benzimidazolone scaffold, 15c
CID 42618263
Benzimidazolone scaffold, 15i
CID 42618265
Benzimidazolone scaffold, 15k
CID 42618267
2H-Benzimidazol-2-one, 6-chloro-1-(cyclohexylmethyl)-1,3-dihydro-
CID 5276384

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one (CID 165128018) is 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one?
The InChIKey is OPWXQBUQTBZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O/c23-17-8-9-20(18(24)16-17)27-14-12-26(13-15-27)10-4-1-5-11-28-21-7-3-2-6-19(21)25-22(28)29/h2-3,6-9,16H,1,4-5,10-15H2,(H,25,29).
What are the key properties of 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one?
3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one has a molecular weight of 433.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 165128018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).