1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one

C23H23Cl2FN4O2 — CID 83279397

IUPAC1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C23H23Cl2FN4O2/c1-14(23(32)29-9-7-28(8-10-29)15(2)31)30-21-13-19(25)18(24)12-20(21)27-22(30)11-16-3-5-17(26)6-4-16/h3-6,12-14H,7-11H2,1-2H3
InChIKeySCVOYGIZYPFUQV-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.32
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one

1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one (PubChem CID 83279397) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one
PubChem CID83279397
Molecular FormulaC23H23Cl2FN4O2
Molecular Weight477.37 g/mol
Exact Mass476.12
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C23H23Cl2FN4O2/c1-14(23(32)29-9-7-28(8-10-29)15(2)31)30-21-13-19(25)18(24)12-20(21)27-22(30)11-16-3-5-17(26)6-4-16/h3-6,12-14H,7-11H2,1-2H3
InChIKeySCVOYGIZYPFUQV-UHFFFAOYSA-N
XLogP4.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-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 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one (CID 83279397) is 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one is CC(=O)N1CCN(C(=O)C(C)n2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one?
The InChIKey is SCVOYGIZYPFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c1-14(23(32)29-9-7-28(8-10-29)15(2)31)30-21-13-19(25)18(24)12-20(21)27-22(30)11-16-3-5-17(26)6-4-16/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one?
1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one has a molecular weight of 477.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one is sourced from PubChem (CID 83279397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).