N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide

C24H29N5O2S — CID 27929631

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3n2C)CC1
InChIInChI=1S/C24H29N5O2S/c1-17-7-6-8-18(2)23(17)26-21(30)15-28-11-13-29(14-12-28)22(31)16-32-24-25-19-9-4-5-10-20(19)27(24)3/h4-10H,11-16H2,1-3H3,(H,26,30)
InChIKeyIBOBIDKYBOGDPA-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.07
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide (PubChem CID 27929631) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
PubChem CID27929631
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3n2C)CC1
InChIInChI=1S/C24H29N5O2S/c1-17-7-6-8-18(2)23(17)26-21(30)15-28-11-13-29(14-12-28)22(31)16-32-24-25-19-9-4-5-10-20(19)27(24)3/h4-10H,11-16H2,1-3H3,(H,26,30)
InChIKeyIBOBIDKYBOGDPA-UHFFFAOYSA-N
XLogP3.07
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 55640137
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39761968
2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 24670764
N-(2,6-dimethylphenyl)-2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 8787509
2-[4-[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 112815732
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide (CID 27929631) is N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3n2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The InChIKey is IBOBIDKYBOGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17-7-6-8-18(2)23(17)26-21(30)15-28-11-13-29(14-12-28)22(31)16-32-24-25-19-9-4-5-10-20(19)27(24)3/h4-10H,11-16H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide has a molecular weight of 451.60 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27929631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).