2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C18H16BrN3OS — CID 2816896

IUPAC2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1cc(-c2ccc(Br)cc2)nc1SCC(N)=O
InChIInChI=1S/C18H16BrN3OS/c1-12-4-2-3-5-16(12)22-10-15(13-6-8-14(19)9-7-13)21-18(22)24-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyRZISLKSKNNELQI-UHFFFAOYSA-N
MW402.32 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 2816896) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID2816896
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1cc(-c2ccc(Br)cc2)nc1SCC(N)=O
InChIInChI=1S/C18H16BrN3OS/c1-12-4-2-3-5-16(12)22-10-15(13-6-8-14(19)9-7-13)21-18(22)24-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyRZISLKSKNNELQI-UHFFFAOYSA-N
XLogP4.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 2816896) is 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1cc(-c2ccc(Br)cc2)nc1SCC(N)=O.
What is the InChIKey of 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is RZISLKSKNNELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-12-4-2-3-5-16(12)22-10-15(13-6-8-14(19)9-7-13)21-18(22)24-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23).
What are the key properties of 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 402.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 2816896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).