N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C20H30ClN5O — CID 120871124

IUPACN-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H29N5O.ClH/c1-20(2,3)15-7-5-6-8-16(15)23-18(26)14-25-12-9-21-13-17(25)19-22-10-11-24(19)4;/h5-8,10-11,17,21H,9,12-14H2,1-4H3,(H,23,26);1H
InChIKeyYYYLFNNQVDBAJO-UHFFFAOYSA-N
MW391.95 g/mol
LogP2.72
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120871124) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120871124
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC NameN-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H29N5O.ClH/c1-20(2,3)15-7-5-6-8-16(15)23-18(26)14-25-12-9-21-13-17(25)19-22-10-11-24(19)4;/h5-8,10-11,17,21H,9,12-14H2,1-4H3,(H,23,26);1H
InChIKeyYYYLFNNQVDBAJO-UHFFFAOYSA-N
XLogP2.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120871124) is N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is YYYLFNNQVDBAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-20(2,3)15-7-5-6-8-16(15)23-18(26)14-25-12-9-21-13-17(25)19-22-10-11-24(19)4;/h5-8,10-11,17,21H,9,12-14H2,1-4H3,(H,23,26);1H.
What are the key properties of N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120871124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).