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

C14H19ClN4 — CID 10802593

IUPAC1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1CN1CCNCC1C1=NCCN1
InChIInChI=1S/C14H19ClN4/c15-12-4-2-1-3-11(12)10-19-8-7-16-9-13(19)14-17-5-6-18-14/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeySICODFNKZYJSOI-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.12
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 10802593) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID10802593
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1CN1CCNCC1C1=NCCN1
InChIInChI=1S/C14H19ClN4/c15-12-4-2-1-3-11(12)10-19-8-7-16-9-13(19)14-17-5-6-18-14/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeySICODFNKZYJSOI-UHFFFAOYSA-N
XLogP1.12
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 10802593) is 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is Clc1ccccc1CN1CCNCC1C1=NCCN1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is SICODFNKZYJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c15-12-4-2-1-3-11(12)10-19-8-7-16-9-13(19)14-17-5-6-18-14/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 278.79 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 10802593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).