N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

C20H24ClN5OS — CID 155947401

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2ccnc2SCC(=O)N(C)Cc2ncc(Cl)n2C)cc1
InChIInChI=1S/C20H24ClN5OS/c1-14(2)15-5-7-16(8-6-15)26-10-9-22-20(26)28-13-19(27)24(3)12-18-23-11-17(21)25(18)4/h5-11,14H,12-13H2,1-4H3
InChIKeyVOODGJPSCRGTHB-UHFFFAOYSA-N
MW417.97 g/mol
LogP4.13
Rot. Bonds7

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 155947401) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID155947401
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2ccnc2SCC(=O)N(C)Cc2ncc(Cl)n2C)cc1
InChIInChI=1S/C20H24ClN5OS/c1-14(2)15-5-7-16(8-6-15)26-10-9-22-20(26)28-13-19(27)24(3)12-18-23-11-17(21)25(18)4/h5-11,14H,12-13H2,1-4H3
InChIKeyVOODGJPSCRGTHB-UHFFFAOYSA-N
XLogP4.13
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (CID 155947401) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is CC(C)c1ccc(-n2ccnc2SCC(=O)N(C)Cc2ncc(Cl)n2C)cc1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is VOODGJPSCRGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5OS/c1-14(2)15-5-7-16(8-6-15)26-10-9-22-20(26)28-13-19(27)24(3)12-18-23-11-17(21)25(18)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 417.97 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 155947401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).