[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C25H22F2N4OS — CID 10276601

IUPAC[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C25H22F2N4OS/c1-15-29-23(24(33-15)17-6-10-19(27)11-7-17)25(32)31-12-2-3-20(31)13-22-28-14-21(30-22)16-4-8-18(26)9-5-16/h4-11,14,20H,2-3,12-13H2,1H3,(H,28,30)
InChIKeyWLMYMSFGYAEFMI-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.63
Rot. Bonds5

About [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 10276601) has the molecular formula C25H22F2N4OS and a molecular weight of 464.54 g/mol. Its IUPAC name is [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID10276601
Molecular FormulaC25H22F2N4OS
Molecular Weight464.54 g/mol
Exact Mass464.15
IUPAC Name[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C25H22F2N4OS/c1-15-29-23(24(33-15)17-6-10-19(27)11-7-17)25(32)31-12-2-3-20(31)13-22-28-14-21(30-22)16-4-8-18(26)9-5-16/h4-11,14,20H,2-3,12-13H2,1H3,(H,28,30)
InChIKeyWLMYMSFGYAEFMI-UHFFFAOYSA-N
XLogP5.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 10276601) is [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is WLMYMSFGYAEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4OS/c1-15-29-23(24(33-15)17-6-10-19(27)11-7-17)25(32)31-12-2-3-20(31)13-22-28-14-21(30-22)16-4-8-18(26)9-5-16/h4-11,14,20H,2-3,12-13H2,1H3,(H,28,30).
What are the key properties of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 10276601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).