N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide

C17H21Cl2N5O — CID 120871195

IUPACN-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H21Cl2N5O/c1-23-9-7-21-17(23)14-11-20-6-10-24(14)8-5-15(25)22-16-12(18)3-2-4-13(16)19/h2-4,7,9,14,20H,5-6,8,10-11H2,1H3,(H,22,25)
InChIKeyBHYNBNPFUQNNHH-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.70
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 120871195) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
PubChem CID120871195
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H21Cl2N5O/c1-23-9-7-21-17(23)14-11-20-6-10-24(14)8-5-15(25)22-16-12(18)3-2-4-13(16)19/h2-4,7,9,14,20H,5-6,8,10-11H2,1H3,(H,22,25)
InChIKeyBHYNBNPFUQNNHH-UHFFFAOYSA-N
XLogP2.70
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
N-[2-(2,3-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870091
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120871378
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide (CID 120871195) is N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide is Cn1ccnc1C1CNCCN1CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is BHYNBNPFUQNNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O/c1-23-9-7-21-17(23)14-11-20-6-10-24(14)8-5-15(25)22-16-12(18)3-2-4-13(16)19/h2-4,7,9,14,20H,5-6,8,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 382.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 120871195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).