N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C19H28ClN5O — CID 120870414

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1cccc(C)c1NC(=O)CN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-4-15-7-5-6-14(2)18(15)22-17(25)13-24-11-8-20-12-16(24)19-21-9-10-23(19)3;/h5-7,9-10,16,20H,4,8,11-13H2,1-3H3,(H,22,25);1H
InChIKeyBWGJVQVBPUNALI-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.30
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120870414) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120870414
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1cccc(C)c1NC(=O)CN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-4-15-7-5-6-14(2)18(15)22-17(25)13-24-11-8-20-12-16(24)19-21-9-10-23(19)3;/h5-7,9-10,16,20H,4,8,11-13H2,1-3H3,(H,22,25);1H
InChIKeyBWGJVQVBPUNALI-UHFFFAOYSA-N
XLogP2.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 120869804
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120870414) is N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is CCc1cccc(C)c1NC(=O)CN1CCNCC1c1nccn1C.Cl.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is BWGJVQVBPUNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-4-15-7-5-6-14(2)18(15)22-17(25)13-24-11-8-20-12-16(24)19-21-9-10-23(19)3;/h5-7,9-10,16,20H,4,8,11-13H2,1-3H3,(H,22,25);1H.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120870414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).