N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

C23H24FN3O2S — CID 15990559

IUPACN-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-29-19-12-8-16(9-13-19)22-26-21(15-6-10-17(24)11-7-15)23(27-22)30-14-20(28)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyKQCUPRCEXCPBCF-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.04
Rot. Bonds7

About N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15990559) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15990559
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-29-19-12-8-16(9-13-19)22-26-21(15-6-10-17(24)11-7-15)23(27-22)30-14-20(28)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyKQCUPRCEXCPBCF-UHFFFAOYSA-N
XLogP5.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15990559) is N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is KQCUPRCEXCPBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-29-19-12-8-16(9-13-19)22-26-21(15-6-10-17(24)11-7-15)23(27-22)30-14-20(28)25-18-4-2-3-5-18/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15990559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).