N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate

C23H20Cl4N3O3S- — CID 21147463

About N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate

N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate (PubChem CID 21147463) has the molecular formula C23H20Cl4N3O3S- and a molecular weight of 560.31 g/mol. Its IUPAC name is N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate
• PubChem CID: 21147463
• Molecular Formula: C23H20Cl4N3O3S-
• Molecular Weight: 560.31 g/mol
• Exact Mass: 558.00
• IUPAC Name: N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate
• SMILES: CCn1c(CN(C(=O)[O-])C(=O)c2cc(Cl)cc(Cl)c2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C23H21Cl4N3O3S/c1-4-29-19(11-30(23(32)33)21(31)13-5-14(24)7-15(25)6-13)28-20(12(2)3)22(29)34-18-9-16(26)8-17(27)10-18/h5-10,12H,4,11H2,1-3H3,(H,32,33)/p-1
• InChIKey: DLZDPBDUMKTRDG-UHFFFAOYSA-M
• XLogP: 6.78
• TPSA: 78.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.31
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate?

The IUPAC name of N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate (CID 21147463) is N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate.

What is the SMILES notation for N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate?

The canonical SMILES for N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate is CCn1c(CN(C(=O)[O-])C(=O)c2cc(Cl)cc(Cl)c2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1.

What is the InChIKey of N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate?

The InChIKey is DLZDPBDUMKTRDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21Cl4N3O3S/c1-4-29-19(11-30(23(32)33)21(31)13-5-14(24)7-15(25)6-13)28-20(12(2)3)22(29)34-18-9-16(26)8-17(27)10-18/h5-10,12H,4,11H2,1-3H3,(H,32,33)/p-1.

What are the key properties of N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate?

N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate has a molecular weight of 560.31 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorobenzoyl)-N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 21147463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).