2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C21H24N6OS — CID 55721604

IUPAC2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N6OS/c1-16-5-2-3-6-18(16)27-14-11-24-21(27)29-15-19(28)25-17-7-12-26(13-8-17)20-22-9-4-10-23-20/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3,(H,25,28)
InChIKeyRICPJNQUZONUKD-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 55721604) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID55721604
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N6OS/c1-16-5-2-3-6-18(16)27-14-11-24-21(27)29-15-19(28)25-17-7-12-26(13-8-17)20-22-9-4-10-23-20/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3,(H,25,28)
InChIKeyRICPJNQUZONUKD-UHFFFAOYSA-N
XLogP2.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-cyclooctyl-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41425166
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxopiperidin-1-yl)acetamide
CID 91642102
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705543
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 55721604) is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is Cc1ccccc1-n1ccnc1SCC(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is RICPJNQUZONUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-16-5-2-3-6-18(16)27-14-11-24-21(27)29-15-19(28)25-17-7-12-26(13-8-17)20-22-9-4-10-23-20/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3,(H,25,28).
What are the key properties of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 408.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55721604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).