1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine

C20H21Cl2N5O — CID 11950345

IUPAC1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine
SMILESClc1cc(Cl)cc(Cn2ccnc2COc2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C20H21Cl2N5O/c21-16-10-15(11-17(22)12-16)13-27-9-6-24-19(27)14-28-20-3-1-2-18(25-20)26-7-4-23-5-8-26/h1-3,6,9-12,23H,4-5,7-8,13-14H2
InChIKeyVJFMXWXOMPGQAY-UHFFFAOYSA-N
MW418.33 g/mol
LogP3.62
Rot. Bonds6

About 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine

1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine (PubChem CID 11950345) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine
PubChem CID11950345
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC Name1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine
SMILESClc1cc(Cl)cc(Cn2ccnc2COc2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C20H21Cl2N5O/c21-16-10-15(11-17(22)12-16)13-27-9-6-24-19(27)14-28-20-3-1-2-18(25-20)26-7-4-23-5-8-26/h1-3,6,9-12,23H,4-5,7-8,13-14H2
InChIKeyVJFMXWXOMPGQAY-UHFFFAOYSA-N
XLogP3.62
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 11950524
1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine
CID 18186855
4-[[6-(1,4-diazepan-1-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164544839
2-chloro-4-methoxypyridine;1-(6-methoxy-2-pyridinyl)piperazine;piperazine
CID 158042342
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
1-(6-phenoxy-2-pyridinyl)piperazine
CID 18186800
2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine
CID 141073554
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
CID 22640139
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
CID 143306337
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine (CID 11950345) is 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine is Clc1cc(Cl)cc(Cn2ccnc2COc2cccc(N3CCNCC3)n2)c1.
What is the InChIKey of 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine?
The InChIKey is VJFMXWXOMPGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O/c21-16-10-15(11-17(22)12-16)13-27-9-6-24-19(27)14-28-20-3-1-2-18(25-20)26-7-4-23-5-8-26/h1-3,6,9-12,23H,4-5,7-8,13-14H2.
What are the key properties of 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine?
1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine has a molecular weight of 418.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine is sourced from PubChem (CID 11950345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).