1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine

C19H21ClN4S — CID 120911954

IUPAC1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C19H21ClN4S/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20/h2-7,9-10,17,21H,8,11-13H2,1H3
InChIKeyJEZJUWPBWMCPOY-UHFFFAOYSA-N
MW372.93 g/mol
LogP3.95
Rot. Bonds4

About 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120911954) has the molecular formula C19H21ClN4S and a molecular weight of 372.93 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120911954
Molecular FormulaC19H21ClN4S
Molecular Weight372.93 g/mol
Exact Mass372.12
IUPAC Name1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C19H21ClN4S/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20/h2-7,9-10,17,21H,8,11-13H2,1H3
InChIKeyJEZJUWPBWMCPOY-UHFFFAOYSA-N
XLogP3.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.93
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911751
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
CID 120912503
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120911954) is 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is JEZJUWPBWMCPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4S/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20/h2-7,9-10,17,21H,8,11-13H2,1H3.
What are the key properties of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 372.93 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120911954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).