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

C20H24N4O2 — CID 23369450

IUPAC3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H24N4O2/c1-26-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)21-20(24)25/h2-9H,10-15H2,1H3,(H,21,25)
InChIKeyLNDCOGLNEQSIJF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.16
Rot. Bonds5

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

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one (PubChem CID 23369450) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
PubChem CID23369450
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H24N4O2/c1-26-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)21-20(24)25/h2-9H,10-15H2,1H3,(H,21,25)
InChIKeyLNDCOGLNEQSIJF-UHFFFAOYSA-N
XLogP2.16
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one (CID 23369450) is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one is COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The InChIKey is LNDCOGLNEQSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)21-20(24)25/h2-9H,10-15H2,1H3,(H,21,25).
What are the key properties of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 23369450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).