1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine

C22H26ClN5 — CID 10294153

IUPAC1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
SMILESClc1ccc(C(c2ccccn2)N2CCN(CCCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C22H26ClN5/c23-19-8-6-18(7-9-19)22(21-5-1-2-10-25-21)28-14-12-27(13-15-28)11-3-4-20-16-24-17-26-20/h1-2,5-10,16-17,22H,3-4,11-15H2,(H,24,26)
InChIKeyNHTAUONOQSBHMN-UHFFFAOYSA-N
MW395.94 g/mol
LogP3.80
Rot. Bonds7

About 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine

1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine (PubChem CID 10294153) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
PubChem CID10294153
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
SMILESClc1ccc(C(c2ccccn2)N2CCN(CCCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C22H26ClN5/c23-19-8-6-18(7-9-19)22(21-5-1-2-10-25-21)28-14-12-27(13-15-28)11-3-4-20-16-24-17-26-20/h1-2,5-10,16-17,22H,3-4,11-15H2,(H,24,26)
InChIKeyNHTAUONOQSBHMN-UHFFFAOYSA-N
XLogP3.80
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine (CID 10294153) is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine is Clc1ccc(C(c2ccccn2)N2CCN(CCCc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine?
The InChIKey is NHTAUONOQSBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c23-19-8-6-18(7-9-19)22(21-5-1-2-10-25-21)28-14-12-27(13-15-28)11-3-4-20-16-24-17-26-20/h1-2,5-10,16-17,22H,3-4,11-15H2,(H,24,26).
What are the key properties of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine?
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine has a molecular weight of 395.94 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine is sourced from PubChem (CID 10294153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).