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

C18H16ClN5O4 — CID 155567218

IUPAC5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C
InChIInChI=1S/C18H16ClN5O4/c1-9-7-20-15(24(9)2)18(16(26)22-17(27)23-18)8-21-14(25)13-6-10-5-11(19)3-4-12(10)28-13/h3-7H,8H2,1-2H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1
InChIKeySPAODDWHKVLWKW-SFHVURJKSA-N
MW401.81 g/mol
LogP1.59
Rot. Bonds4

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

5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 155567218) has the molecular formula C18H16ClN5O4 and a molecular weight of 401.81 g/mol. Its IUPAC name is 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID155567218
Molecular FormulaC18H16ClN5O4
Molecular Weight401.81 g/mol
Exact Mass401.09
IUPAC Name5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C
InChIInChI=1S/C18H16ClN5O4/c1-9-7-20-15(24(9)2)18(16(26)22-17(27)23-18)8-21-14(25)13-6-10-5-11(19)3-4-12(10)28-13/h3-7H,8H2,1-2H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1
InChIKeySPAODDWHKVLWKW-SFHVURJKSA-N
XLogP1.59
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 155567218) is 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is Cc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C.
What is the InChIKey of 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SPAODDWHKVLWKW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16ClN5O4/c1-9-7-20-15(24(9)2)18(16(26)22-17(27)23-18)8-21-14(25)13-6-10-5-11(19)3-4-12(10)28-13/h3-7H,8H2,1-2H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1.
What are the key properties of 5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 401.81 g/mol, XLogP of 1.59, 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-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155567218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).