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

C14H18Cl2N4 — CID 91800806

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14/h1-2,9H,3-8,10H2,(H,17,18)
InChIKeyWBCVJSUFNMLANH-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.07
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 91800806) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID91800806
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14/h1-2,9H,3-8,10H2,(H,17,18)
InChIKeyWBCVJSUFNMLANH-UHFFFAOYSA-N
XLogP2.07
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 91800806) is 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine is Clc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is WBCVJSUFNMLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14/h1-2,9H,3-8,10H2,(H,17,18).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 313.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 91800806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).