2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride

C19H29Cl2N5O — CID 45284369

IUPAC2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
SMILESCCn1ccnc1N1CCN(CC(=O)NCc2ccc(C)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H27N5O.2ClH/c1-3-23-9-8-20-19(23)24-12-10-22(11-13-24)15-18(25)21-14-17-6-4-16(2)5-7-17;;/h4-9H,3,10-15H2,1-2H3,(H,21,25);2*1H
InChIKeyDKPLKMJWUKSZTJ-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride

2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride (PubChem CID 45284369) has the molecular formula C19H29Cl2N5O and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
PubChem CID45284369
Molecular FormulaC19H29Cl2N5O
Molecular Weight414.38 g/mol
Exact Mass413.17
IUPAC Name2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
SMILESCCn1ccnc1N1CCN(CC(=O)NCc2ccc(C)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H27N5O.2ClH/c1-3-23-9-8-20-19(23)24-12-10-22(11-13-24)15-18(25)21-14-17-6-4-16(2)5-7-17;;/h4-9H,3,10-15H2,1-2H3,(H,21,25);2*1H
InChIKeyDKPLKMJWUKSZTJ-UHFFFAOYSA-N
XLogP2.49
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride (CID 45284369) is 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride is CCn1ccnc1N1CCN(CC(=O)NCc2ccc(C)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride?
The InChIKey is DKPLKMJWUKSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.2ClH/c1-3-23-9-8-20-19(23)24-12-10-22(11-13-24)15-18(25)21-14-17-6-4-16(2)5-7-17;;/h4-9H,3,10-15H2,1-2H3,(H,21,25);2*1H.
What are the key properties of 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride?
2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 45284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).