1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C17H19ClN4OS — CID 120878121

IUPAC1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H18N4OS.ClH/c1-20-8-7-19-16(20)13-11-18-6-9-21(13)17(22)15-10-12-4-2-3-5-14(12)23-15;/h2-5,7-8,10,13,18H,6,9,11H2,1H3;1H
InChIKeyBEXVZNRIVODCSD-UHFFFAOYSA-N
MW362.89 g/mol
LogP2.84
Rot. Bonds2

About 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120878121) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120878121
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H18N4OS.ClH/c1-20-8-7-19-16(20)13-11-18-6-9-21(13)17(22)15-10-12-4-2-3-5-14(12)23-15;/h2-5,7-8,10,13,18H,6,9,11H2,1H3;1H
InChIKeyBEXVZNRIVODCSD-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
1-benzofuran-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877663
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880625
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877230
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120878469
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120878160
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880626
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879462
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879142
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120878125

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120878121) is 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is BEXVZNRIVODCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS.ClH/c1-20-8-7-19-16(20)13-11-18-6-9-21(13)17(22)15-10-12-4-2-3-5-14(12)23-15;/h2-5,7-8,10,13,18H,6,9,11H2,1H3;1H.
What are the key properties of 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 362.89 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120878121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).