2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C22H24ClN5O2 — CID 46605644

IUPAC2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)n1cnc2ccccc21
InChIInChI=1S/C22H24ClN5O2/c1-16(28-15-24-19-8-4-5-9-20(19)28)22(30)27-12-10-26(11-13-27)14-21(29)25-18-7-3-2-6-17(18)23/h2-9,15-16H,10-14H2,1H3,(H,25,29)
InChIKeyJOWKCAUFOBMYQS-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 46605644) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID46605644
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)n1cnc2ccccc21
InChIInChI=1S/C22H24ClN5O2/c1-16(28-15-24-19-8-4-5-9-20(19)28)22(30)27-12-10-26(11-13-27)14-21(29)25-18-7-3-2-6-17(18)23/h2-9,15-16H,10-14H2,1H3,(H,25,29)
InChIKeyJOWKCAUFOBMYQS-UHFFFAOYSA-N
XLogP3.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide 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

(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 46605644) is 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)n1cnc2ccccc21.
What is the InChIKey of 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JOWKCAUFOBMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-16(28-15-24-19-8-4-5-9-20(19)28)22(30)27-12-10-26(11-13-27)14-21(29)25-18-7-3-2-6-17(18)23/h2-9,15-16H,10-14H2,1H3,(H,25,29).
What are the key properties of 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 425.92 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 46605644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).