1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine

C20H22N4 — CID 67691456

IUPAC1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESc1ccc(-c2nc[nH]c2CC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-16(8-4-1)20-19(22-15-23-20)13-17-14-24(12-11-21-17)18-9-5-2-6-10-18/h1-10,15,17,21H,11-14H2,(H,22,23)
InChIKeyZTDPNFUANNOBLP-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.10
Rot. Bonds4

About 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine

1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine (PubChem CID 67691456) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine
PubChem CID67691456
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESc1ccc(-c2nc[nH]c2CC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-16(8-4-1)20-19(22-15-23-20)13-17-14-24(12-11-21-17)18-9-5-2-6-10-18/h1-10,15,17,21H,11-14H2,(H,22,23)
InChIKeyZTDPNFUANNOBLP-UHFFFAOYSA-N
XLogP3.10
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65997
Mavorixafor
CID 11256587
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Tecastemizole
CID 123618
SB-220025
CID 5164
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
4,5-Diphenylimidazole
CID 69588
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine (CID 67691456) is 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine is c1ccc(-c2nc[nH]c2CC2CN(c3ccccc3)CCN2)cc1.
What is the InChIKey of 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The InChIKey is ZTDPNFUANNOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-16(8-4-1)20-19(22-15-23-20)13-17-14-24(12-11-21-17)18-9-5-2-6-10-18/h1-10,15,17,21H,11-14H2,(H,22,23).
What are the key properties of 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine?
1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4-phenyl-1H-imidazol-5-yl)methyl]piperazine is sourced from PubChem (CID 67691456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).