(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C17H16Cl2N4OS — CID 120880190

IUPAC(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C17H16Cl2N4OS/c1-22-6-5-21-16(22)12-9-20-4-7-23(12)17(24)15-14(19)11-3-2-10(18)8-13(11)25-15/h2-3,5-6,8,12,20H,4,7,9H2,1H3
InChIKeyIDILSQLJDMTZFS-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.73
Rot. Bonds2

About (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120880190) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120880190
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C17H16Cl2N4OS/c1-22-6-5-21-16(22)12-9-20-4-7-23(12)17(24)15-14(19)11-3-2-10(18)8-13(11)25-15/h2-3,5-6,8,12,20H,4,7,9H2,1H3
InChIKeyIDILSQLJDMTZFS-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879630
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
[1-(3-chlorophenyl)pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880813
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120880190) is (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1C1CNCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is IDILSQLJDMTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-22-6-5-21-16(22)12-9-20-4-7-23(12)17(24)15-14(19)11-3-2-10(18)8-13(11)25-15/h2-3,5-6,8,12,20H,4,7,9H2,1H3.
What are the key properties of (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 395.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120880190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).