1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

C18H22N4O2S — CID 39754957

IUPAC1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)22-11-8-20-18(22)25-12-16(23)21-9-6-14(7-10-21)17(19)24/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H2,19,24)
InChIKeyKIHFZYFOTNXEDA-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 39754957) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
PubChem CID39754957
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)22-11-8-20-18(22)25-12-16(23)21-9-6-14(7-10-21)17(19)24/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H2,19,24)
InChIKeyKIHFZYFOTNXEDA-UHFFFAOYSA-N
XLogP2.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]ethanone
CID 56572191
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 24606123
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 55839993
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721604
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 9373158
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
CID 46662453
methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (CID 39754957) is 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is Cc1ccccc1-n1ccnc1SCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is KIHFZYFOTNXEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)22-11-8-20-18(22)25-12-16(23)21-9-6-14(7-10-21)17(19)24/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H2,19,24).
What are the key properties of 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 39754957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).