2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C23H24N6OS — CID 41042053

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 41042053) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
• PubChem CID: 41042053
• Molecular Formula: C23H24N6OS
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
• SMILES: Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1C
• InChI: InChI=1S/C23H24N6OS/c1-16-5-4-6-21(17(16)2)28-12-11-25-23(28)31-13-22(30)27-18(3)19-7-9-20(10-8-19)29-15-24-14-26-29/h4-12,14-15,18H,13H2,1-3H3,(H,27,30)/t18-/m1/s1
• InChIKey: CFMOKELRXVVMIH-GOSISDBHSA-N
• XLogP: 4.04
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 41042053) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1C.

What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

The InChIKey is CFMOKELRXVVMIH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-16-5-4-6-21(17(16)2)28-12-11-25-23(28)31-13-22(30)27-18(3)19-7-9-20(10-8-19)29-15-24-14-26-29/h4-12,14-15,18H,13H2,1-3H3,(H,27,30)/t18-/m1/s1.

What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 41042053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).