N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

C24H27N3O3S — CID 15945556

IUPACN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-29-19-12-10-16(11-13-19)22-24(31-15-21(28)25-18-7-3-4-8-18)27-23(26-22)17-6-5-9-20(14-17)30-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOCGAPHDBOBMQRX-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.91
Rot. Bonds8

About N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15945556) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15945556
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-29-19-12-10-16(11-13-19)22-24(31-15-21(28)25-18-7-3-4-8-18)27-23(26-22)17-6-5-9-20(14-17)30-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOCGAPHDBOBMQRX-UHFFFAOYSA-N
XLogP4.91
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-Cyclopentyl-2-{[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15990540
1-(2-{2-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-ethoxy}-ethyl)-1-heptyl-3-isopropyl-urea
CID 9985707
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-3-isopropyl-1-[2-(2-methoxy-ethoxy)-ethyl]-urea
CID 9985745
N-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-2-cyclohexyl-N-heptyl-acetamide
CID 10077605
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 10415847
N-[[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butanamide
CID 136042364
N-[2-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]ethyl]butanamide
CID 136042365
N-[3-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]propyl]butanamide
CID 136042366
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
CID 5308483
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-(5-hydroxypentyl)-3-propan-2-ylurea
CID 9985443
{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-heptyl-carbamic acid phenyl ester
CID 10371625

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15945556) is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is OCGAPHDBOBMQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-29-19-12-10-16(11-13-19)22-24(31-15-21(28)25-18-7-3-4-8-18)27-23(26-22)17-6-5-9-20(14-17)30-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15945556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).