1-methyl-4-(1-phenylimidazol-2-yl)piperazine

C14H18N4 — CID 21029534

IUPAC1-methyl-4-(1-phenylimidazol-2-yl)piperazine
SMILESCN1CCN(c2nccn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N4/c1-16-9-11-17(12-10-16)14-15-7-8-18(14)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyFWYIPTLBRXDJGI-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-4-(1-phenylimidazol-2-yl)piperazine

1-methyl-4-(1-phenylimidazol-2-yl)piperazine (PubChem CID 21029534) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-phenylimidazol-2-yl)piperazine
PubChem CID21029534
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-4-(1-phenylimidazol-2-yl)piperazine
SMILESCN1CCN(c2nccn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N4/c1-16-9-11-17(12-10-16)14-15-7-8-18(14)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyFWYIPTLBRXDJGI-UHFFFAOYSA-N
XLogP1.62
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylimidazol-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-phenylimidazol-2-yl)piperazine (CID 21029534) is 1-methyl-4-(1-phenylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-phenylimidazol-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-phenylimidazol-2-yl)piperazine is CN1CCN(c2nccn2-c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(1-phenylimidazol-2-yl)piperazine?
The InChIKey is FWYIPTLBRXDJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-16-9-11-17(12-10-16)14-15-7-8-18(14)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of 1-methyl-4-(1-phenylimidazol-2-yl)piperazine?
1-methyl-4-(1-phenylimidazol-2-yl)piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylimidazol-2-yl)piperazine is sourced from PubChem (CID 21029534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).