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

C22H28N4O2 — CID 23369421

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27)
InChIKeyDMARDGGKPVOAPE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.94
Rot. Bonds7

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

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one (PubChem CID 23369421) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
PubChem CID23369421
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27)
InChIKeyDMARDGGKPVOAPE-UHFFFAOYSA-N
XLogP2.94
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one (CID 23369421) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one is COc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one?
The InChIKey is DMARDGGKPVOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27).
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 23369421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).