N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C20H20ClN3OS — CID 7151028

IUPACN-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H20ClN3OS/c1-15-6-8-16(9-7-15)13-24-11-10-22-20(24)26-14-19(25)23-12-17-4-2-3-5-18(17)21/h2-11H,12-14H2,1H3,(H,23,25)
InChIKeyRDCODTXMWKXRHN-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.30
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151028) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151028
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H20ClN3OS/c1-15-6-8-16(9-7-15)13-24-11-10-22-20(24)26-14-19(25)23-12-17-4-2-3-5-18(17)21/h2-11H,12-14H2,1H3,(H,23,25)
InChIKeyRDCODTXMWKXRHN-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151028) is N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is Cc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is RDCODTXMWKXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-15-6-8-16(9-7-15)13-24-11-10-22-20(24)26-14-19(25)23-12-17-4-2-3-5-18(17)21/h2-11H,12-14H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 385.92 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).