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

C13H17ClN4 — CID 22335016

IUPAC1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C13H17ClN4/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16)
InChIKeyMSRXSMCAPOAIGW-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.42
Rot. Bonds1

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

1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 22335016) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID22335016
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C13H17ClN4/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16)
InChIKeyMSRXSMCAPOAIGW-UHFFFAOYSA-N
XLogP1.42
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
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CID 133352048
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
1-(2-chlorophenyl)-1,4-diazocan-5-one
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2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 36723487
3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
2-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]-7H-purin-9-ium
CID 123825048

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 22335016) is 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine is Clc1ccccc1N1CCN(C2=NCCN2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is MSRXSMCAPOAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16).
What are the key properties of 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 264.76 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 22335016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).