1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine

C41H47ClN10 — CID 160811197

IUPAC1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C21H25N5.C20H22ClN5/c1-17-5-7-18(8-6-17)21(20-4-2-3-9-23-20)26-12-10-25(11-13-26)15-19-14-22-16-24-19;21-17-6-4-16(5-7-17)20(19-3-1-2-8-23-19)26-11-9-25(10-12-26)14-18-13-22-15-24-18/h2-9,14,16,21H,10-13,15H2,1H3,(H,22,24);1-8,13,15,20H,9-12,14H2,(H,22,24)
InChIKeySEIMWZPQNLDAMS-UHFFFAOYSA-N
MW715.35 g/mol
LogP6.39
Rot. Bonds10

About 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine

1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine (PubChem CID 160811197) has the molecular formula C41H47ClN10 and a molecular weight of 715.35 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
PubChem CID160811197
Molecular FormulaC41H47ClN10
Molecular Weight715.35 g/mol
Exact Mass714.37
IUPAC Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C21H25N5.C20H22ClN5/c1-17-5-7-18(8-6-17)21(20-4-2-3-9-23-20)26-12-10-25(11-13-26)15-19-14-22-16-24-19;21-17-6-4-16(5-7-17)20(19-3-1-2-8-23-19)26-11-9-25(10-12-26)14-18-13-22-15-24-18/h2-9,14,16,21H,10-13,15H2,1H3,(H,22,24);1-8,13,15,20H,9-12,14H2,(H,22,24)
InChIKeySEIMWZPQNLDAMS-UHFFFAOYSA-N
XLogP6.39
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.35
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine with MolForge

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Related Compounds

1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
CID 10294153
1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
CID 142143968
2-[(4-chlorophenyl)-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-ylmethyl)piperazine
CID 157420167
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane
CID 142144009
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
CID 118180240
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 76956506
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine (CID 160811197) is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine is Cc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine?
The InChIKey is SEIMWZPQNLDAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.C20H22ClN5/c1-17-5-7-18(8-6-17)21(20-4-2-3-9-23-20)26-12-10-25(11-13-26)15-19-14-22-16-24-19;21-17-6-4-16(5-7-17)20(19-3-1-2-8-23-19)26-11-9-25(10-12-26)14-18-13-22-15-24-18/h2-9,14,16,21H,10-13,15H2,1H3,(H,22,24);1-8,13,15,20H,9-12,14H2,(H,22,24).
What are the key properties of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine?
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine has a molecular weight of 715.35 g/mol, XLogP of 6.39, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine is sourced from PubChem (CID 160811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).