N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide

C17H22BrN5O — CID 120870835

IUPACN-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H22BrN5O/c1-22-10-8-20-17(22)15-12-19-7-11-23(15)9-6-16(24)21-14-4-2-13(18)3-5-14/h2-5,8,10,15,19H,6-7,9,11-12H2,1H3,(H,21,24)
InChIKeyMOJASAAHLITZKK-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.16
Rot. Bonds5

About N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide

N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 120870835) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
PubChem CID120870835
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC NameN-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H22BrN5O/c1-22-10-8-20-17(22)15-12-19-7-11-23(15)9-6-16(24)21-14-4-2-13(18)3-5-14/h2-5,8,10,15,19H,6-7,9,11-12H2,1H3,(H,21,24)
InChIKeyMOJASAAHLITZKK-UHFFFAOYSA-N
XLogP2.16
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120871378
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120870506
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide (CID 120870835) is N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide is Cn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is MOJASAAHLITZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-22-10-8-20-17(22)15-12-19-7-11-23(15)9-6-16(24)21-14-4-2-13(18)3-5-14/h2-5,8,10,15,19H,6-7,9,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide?
N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 392.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 120870835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).