N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide

C22H25N3O2S — CID 18571134

IUPACN-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1
InChIInChI=1S/C22H25N3O2S/c26-14-19-12-23-22(25(19)13-21(27)24-18-9-2-3-10-18)28-15-17-8-5-7-16-6-1-4-11-20(16)17/h1,4-8,11-12,18,26H,2-3,9-10,13-15H2,(H,24,27)
InChIKeyUGMOHGDPVANKLF-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.88
Rot. Bonds7

About N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide

N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide (PubChem CID 18571134) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
PubChem CID18571134
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1
InChIInChI=1S/C22H25N3O2S/c26-14-19-12-23-22(25(19)13-21(27)24-18-9-2-3-10-18)28-15-17-8-5-7-16-6-1-4-11-20(16)17/h1,4-8,11-12,18,26H,2-3,9-10,13-15H2,(H,24,27)
InChIKeyUGMOHGDPVANKLF-UHFFFAOYSA-N
XLogP3.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342211
N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571018
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
CID 22576257
2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 18570982
N-cyclopentyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571102
N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571099
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
2-[2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342210
N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571000
N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 41342203
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-benzyl-2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide
CID 27558238

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide (CID 18571134) is N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide is O=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide?
The InChIKey is UGMOHGDPVANKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-14-19-12-23-22(25(19)13-21(27)24-18-9-2-3-10-18)28-15-17-8-5-7-16-6-1-4-11-20(16)17/h1,4-8,11-12,18,26H,2-3,9-10,13-15H2,(H,24,27).
What are the key properties of N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide?
N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 18571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).