2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide

C28H32ClN3OS — CID 3229830

IUPAC2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H32ClN3OS/c29-23-14-10-22(11-15-23)26-18-30-28(32(26)25-8-4-5-9-25)34-19-27(33)31-24-16-12-21(13-17-24)20-6-2-1-3-7-20/h10-18,20,25H,1-9,19H2,(H,31,33)
InChIKeyKVLLKXWBUISTMH-UHFFFAOYSA-N
MW494.10 g/mol
LogP8.10
Rot. Bonds7

About 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide

2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide (PubChem CID 3229830) has the molecular formula C28H32ClN3OS and a molecular weight of 494.10 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
PubChem CID3229830
Molecular FormulaC28H32ClN3OS
Molecular Weight494.10 g/mol
Exact Mass493.20
IUPAC Name2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H32ClN3OS/c29-23-14-10-22(11-15-23)26-18-30-28(32(26)25-8-4-5-9-25)34-19-27(33)31-24-16-12-21(13-17-24)20-6-2-1-3-7-20/h10-18,20,25H,1-9,19H2,(H,31,33)
InChIKeyKVLLKXWBUISTMH-UHFFFAOYSA-N
XLogP8.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.10
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417
N-(4-chlorophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591507
2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 3134282
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18569144
N-(4-cyclohexylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860091
2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide
CID 3212459
5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine
CID 50941113
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
N-(4-chlorophenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16586463
N-(4-chlorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857472
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573
N-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16516706

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide (CID 3229830) is 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide is O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide?
The InChIKey is KVLLKXWBUISTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3OS/c29-23-14-10-22(11-15-23)26-18-30-28(32(26)25-8-4-5-9-25)34-19-27(33)31-24-16-12-21(13-17-24)20-6-2-1-3-7-20/h10-18,20,25H,1-9,19H2,(H,31,33).
What are the key properties of 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide?
2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide has a molecular weight of 494.10 g/mol, XLogP of 8.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide is sourced from PubChem (CID 3229830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).