2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

C21H24N4O — CID 120767618

IUPAC2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H24N4O/c1-26-20-10-6-5-9-18(20)19-14-22-11-12-25(19)15-17-13-23-21(24-17)16-7-3-2-4-8-16/h2-10,13,19,22H,11-12,14-15H2,1H3,(H,23,24)
InChIKeyHXZCIDGLZWQWIQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.23
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (PubChem CID 120767618) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
PubChem CID120767618
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H24N4O/c1-26-20-10-6-5-9-18(20)19-14-22-11-12-25(19)15-17-13-23-21(24-17)16-7-3-2-4-8-16/h2-10,13,19,22H,11-12,14-15H2,1H3,(H,23,24)
InChIKeyHXZCIDGLZWQWIQ-UHFFFAOYSA-N
XLogP3.23
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120846372
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (CID 120767618) is 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is COc1ccccc1C1CNCCN1Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The InChIKey is HXZCIDGLZWQWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-20-10-6-5-9-18(20)19-14-22-11-12-25(19)15-17-13-23-21(24-17)16-7-3-2-4-8-16/h2-10,13,19,22H,11-12,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine has a molecular weight of 348.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is sourced from PubChem (CID 120767618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).