2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone

C22H23Cl2FN4O — CID 83282235

IUPAC2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C22H23Cl2FN4O/c1-2-27-7-9-28(10-8-27)22(30)14-29-20-13-17(24)16(23)12-19(20)26-21(29)11-15-5-3-4-6-18(15)25/h3-6,12-13H,2,7-11,14H2,1H3
InChIKeyBIMSCDOFTMNYCH-UHFFFAOYSA-N
MW449.36 g/mol
LogP4.24
Rot. Bonds5

About 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 83282235) has the molecular formula C22H23Cl2FN4O and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID83282235
Molecular FormulaC22H23Cl2FN4O
Molecular Weight449.36 g/mol
Exact Mass448.12
IUPAC Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C22H23Cl2FN4O/c1-2-27-7-9-28(10-8-27)22(30)14-29-20-13-17(24)16(23)12-19(20)26-21(29)11-15-5-3-4-6-18(15)25/h3-6,12-13H,2,7-11,14H2,1H3
InChIKeyBIMSCDOFTMNYCH-UHFFFAOYSA-N
XLogP4.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone 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

ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83282441
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 83284817
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 51066922
ethyl 1-[2-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83287080
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 82332690
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531529
(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
CID 97036999

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 83282235) is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is BIMSCDOFTMNYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN4O/c1-2-27-7-9-28(10-8-27)22(30)14-29-20-13-17(24)16(23)12-19(20)26-21(29)11-15-5-3-4-6-18(15)25/h3-6,12-13H,2,7-11,14H2,1H3.
What are the key properties of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 449.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 83282235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).