1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine

C14H18N4 — CID 116881118

IUPAC1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
SMILESCN1CCNC(c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C14H18N4/c1-18-8-7-15-13(10-18)14-16-9-12(17-14)11-5-3-2-4-6-11/h2-6,9,13,15H,7-8,10H2,1H3,(H,16,17)
InChIKeyXKQDLUYUBDEKJU-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.65
Rot. Bonds2

About 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine

1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine (PubChem CID 116881118) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
PubChem CID116881118
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
SMILESCN1CCNC(c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C14H18N4/c1-18-8-7-15-13(10-18)14-16-9-12(17-14)11-5-3-2-4-6-11/h2-6,9,13,15H,7-8,10H2,1H3,(H,16,17)
InChIKeyXKQDLUYUBDEKJU-UHFFFAOYSA-N
XLogP1.65
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
CID 116881113
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578
3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
CID 116881233
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine (CID 116881118) is 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine is CN1CCNC(c2ncc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine?
The InChIKey is XKQDLUYUBDEKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-8-7-15-13(10-18)14-16-9-12(17-14)11-5-3-2-4-6-11/h2-6,9,13,15H,7-8,10H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine?
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 116881118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).