5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide

C17H14ClN5O4 — CID 86287516

About 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 86287516) has the molecular formula C17H14ClN5O4 and a molecular weight of 387.78 g/mol. Its IUPAC name is 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 86287516
• Molecular Formula: C17H14ClN5O4
• Molecular Weight: 387.78 g/mol
• Exact Mass: 387.07
• IUPAC Name: 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
• InChI: InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
• InChIKey: NPWGFJCNOCYDSO-KRWDZBQOSA-N
• XLogP: 1.28
• TPSA: 118.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.78
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 86287516) is 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O.

What is the InChIKey of 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is NPWGFJCNOCYDSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1.

What are the key properties of 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?

5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 387.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(4S)-4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86287516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).