2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

C19H23F2N5O2 — CID 24791198

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)[nH]1
InChIInChI=1S/C19H23F2N5O2/c1-12-9-23-16(24-12)11-25(2)17(27)8-15-19(28)22-6-7-26(15)10-13-4-3-5-14(20)18(13)21/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyPHQSWZMGUMDIGS-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.35
Rot. Bonds6

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (PubChem CID 24791198) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
PubChem CID24791198
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)[nH]1
InChIInChI=1S/C19H23F2N5O2/c1-12-9-23-16(24-12)11-25(2)17(27)8-15-19(28)22-6-7-26(15)10-13-4-3-5-14(20)18(13)21/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyPHQSWZMGUMDIGS-UHFFFAOYSA-N
XLogP1.35
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide 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 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (CID 24791198) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is Cc1cnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)[nH]1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The InChIKey is PHQSWZMGUMDIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-12-9-23-16(24-12)11-25(2)17(27)8-15-19(28)22-6-7-26(15)10-13-4-3-5-14(20)18(13)21/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,28)(H,23,24).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 24791198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).