1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine

C20H22N4 — CID 141118579

IUPAC1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3nccn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-18(8-4-1)23-15-13-22(14-16-23)17-20-21-11-12-24(20)19-9-5-2-6-10-19/h1-12H,13-17H2
InChIKeyFQCZLNUCPZVBOU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.19
Rot. Bonds4

About 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine

1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine (PubChem CID 141118579) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
PubChem CID141118579
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3nccn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-18(8-4-1)23-15-13-22(14-16-23)17-20-21-11-12-24(20)19-9-5-2-6-10-19/h1-12H,13-17H2
InChIKeyFQCZLNUCPZVBOU-UHFFFAOYSA-N
XLogP3.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 166223958
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120846762
N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
CID 167800061
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 120841687
1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
CID 10567507
1-methyl-4-(1-phenylimidazol-2-yl)piperazine
CID 21029534
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine (CID 141118579) is 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine is c1ccc(N2CCN(Cc3nccn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine?
The InChIKey is FQCZLNUCPZVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-18(8-4-1)23-15-13-22(14-16-23)17-20-21-11-12-24(20)19-9-5-2-6-10-19/h1-12H,13-17H2.
What are the key properties of 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine?
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 141118579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).