3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

C20H24N4O — CID 42618263

IUPAC3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20-21-18-9-4-5-10-19(18)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,25)
InChIKeyFWEILLVXYHIXAH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.54
Rot. Bonds5

About 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one (PubChem CID 42618263) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
PubChem CID42618263
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20-21-18-9-4-5-10-19(18)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,25)
InChIKeyFWEILLVXYHIXAH-UHFFFAOYSA-N
XLogP2.54
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-phenylpiperazin-1-yl)propyl]-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

Related Compounds

Domperidone
CID 3151
Oxatomide
CID 4615
Flibanserin
CID 6918248
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10066285
Bimu 1
CID 9929033
1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
Tbpb
CID 10092649

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one (CID 42618263) is 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The InChIKey is FWEILLVXYHIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20-21-18-9-4-5-10-19(18)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,25).
What are the key properties of 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 42618263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).