2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride

C18H26Cl3N5O — CID 45284394

IUPAC2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
SMILESCC(C)NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C18H24ClN5O.2ClH/c1-14(2)21-17(25)13-22-8-10-23(11-9-22)18-20-6-7-24(18)16-5-3-4-15(19)12-16;;/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,25);2*1H
InChIKeyWXPCUIPNMAKIHC-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride

2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride (PubChem CID 45284394) has the molecular formula C18H26Cl3N5O and a molecular weight of 434.80 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
PubChem CID45284394
Molecular FormulaC18H26Cl3N5O
Molecular Weight434.80 g/mol
Exact Mass433.12
IUPAC Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
SMILESCC(C)NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C18H24ClN5O.2ClH/c1-14(2)21-17(25)13-22-8-10-23(11-9-22)18-20-6-7-24(18)16-5-3-4-15(19)12-16;;/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,25);2*1H
InChIKeyWXPCUIPNMAKIHC-UHFFFAOYSA-N
XLogP3.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride 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

1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 42111100
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride (CID 45284394) is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride is CC(C)NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride?
The InChIKey is WXPCUIPNMAKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O.2ClH/c1-14(2)21-17(25)13-22-8-10-23(11-9-22)18-20-6-7-24(18)16-5-3-4-15(19)12-16;;/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,25);2*1H.
What are the key properties of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride?
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 45284394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).