3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one

C24H32N4O2 — CID 42618266

IUPAC3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29)
InChIKeyQVEWUFRBKNHSKU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.72
Rot. Bonds9

About 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one

3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one (PubChem CID 42618266) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
PubChem CID42618266
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29)
InChIKeyQVEWUFRBKNHSKU-UHFFFAOYSA-N
XLogP3.72
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Urapidil
CID 5639
Oxiperomide
CID 68634
Urapidil hydrochloride
CID 167980
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
3-((4-(2-Methoxyphenyl)piperazin-1-yl)methyl)-2,3-dihydroimidazo(1,2-c)quinazolin-5(6H)-one
CID 132891
5-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 9843062
1-(2,4-Difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041628
1-(2,5-Difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041629
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-dihydro-3H-imidazo[1,2-c]quinazolin-5-one
CID 135559170

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one (CID 42618266) is 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one is COc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one?
The InChIKey is QVEWUFRBKNHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29).
What are the key properties of 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one?
3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 42618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).