1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole

C22H21FN6 — CID 75591159

IUPAC1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESFc1ccc(C2NNCC2Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H21FN6/c23-18-8-6-16(7-9-18)19-17(12-27-28-19)13-29-14-26-20(15-4-2-1-3-5-15)21(29)22-24-10-11-25-22/h1-11,14,17,19,27-28H,12-13H2,(H,24,25)
InChIKeyATEKOYNMEDUXIP-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.54
Rot. Bonds5

About 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole

1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole (PubChem CID 75591159) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
PubChem CID75591159
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESFc1ccc(C2NNCC2Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H21FN6/c23-18-8-6-16(7-9-18)19-17(12-27-28-19)13-29-14-26-20(15-4-2-1-3-5-15)21(29)22-24-10-11-25-22/h1-11,14,17,19,27-28H,12-13H2,(H,24,25)
InChIKeyATEKOYNMEDUXIP-UHFFFAOYSA-N
XLogP3.54
TPSA70.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
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5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
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5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
CID 50975704
5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole
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(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
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1-ethyl-4,5-bis(4-fluorophenyl)imidazole
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N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
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4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The IUPAC name of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole (CID 75591159) is 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole is Fc1ccc(C2NNCC2Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The InChIKey is ATEKOYNMEDUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-18-8-6-16(7-9-18)19-17(12-27-28-19)13-29-14-26-20(15-4-2-1-3-5-15)21(29)22-24-10-11-25-22/h1-11,14,17,19,27-28H,12-13H2,(H,24,25).
What are the key properties of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole has a molecular weight of 388.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole is sourced from PubChem (CID 75591159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).