1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

C20H22N4 — CID 3691783

IUPAC1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESc1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22)
InChIKeyPORLBUSMWVWYQB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.40
Rot. Bonds4

About 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (PubChem CID 3691783) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
PubChem CID3691783
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESc1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22)
InChIKeyPORLBUSMWVWYQB-UHFFFAOYSA-N
XLogP3.40
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
SB-220025
CID 5164
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
PF-670462
CID 51049607
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (CID 3691783) is 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is c1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1.
What is the InChIKey of 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The InChIKey is PORLBUSMWVWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22).
What are the key properties of 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is sourced from PubChem (CID 3691783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).