1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine

C16H21ClN4 — CID 118787035

IUPAC1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c1C
InChIInChI=1S/C16H21ClN4/c1-12-13(2)19-16(18-12)11-20-6-8-21(9-7-20)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySDBBATFDIOIHMI-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine

1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine (PubChem CID 118787035) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine
PubChem CID118787035
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c1C
InChIInChI=1S/C16H21ClN4/c1-12-13(2)19-16(18-12)11-20-6-8-21(9-7-20)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySDBBATFDIOIHMI-UHFFFAOYSA-N
XLogP3.00
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine (CID 118787035) is 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine is Cc1nc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c1C.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine?
The InChIKey is SDBBATFDIOIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-12-13(2)19-16(18-12)11-20-6-8-21(9-7-20)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine has a molecular weight of 304.82 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 118787035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).