(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone

C21H22N4O — CID 70148936

IUPAC(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C21H22N4O/c26-21(25-12-11-22-17-25)24-15-13-23(14-16-24)20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20H,13-16H2
InChIKeyPTKAINQTOAZJAM-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.26
Rot. Bonds3

About (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone

(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone (PubChem CID 70148936) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone
PubChem CID70148936
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C21H22N4O/c26-21(25-12-11-22-17-25)24-15-13-23(14-16-24)20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20H,13-16H2
InChIKeyPTKAINQTOAZJAM-UHFFFAOYSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(biphenyl-4-ylmethyl)-1H-imidazole
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Dechloroclotrimazole
CID 618231
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole
CID 13416469
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole
CID 10354661
4-phenyl-4-[1H-imidazol-2-yl]-piperidine
CID 44406272
1-Benzhydryl-1H-imidazole
CID 283391
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
CID 510040
1-(1-Biphenyl-4-yl-propyl)-1H-imidazole
CID 44587233

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone (CID 70148936) is (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone is O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccnc1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone?
The InChIKey is PTKAINQTOAZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(25-12-11-22-17-25)24-15-13-23(14-16-24)20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20H,13-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 70148936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).