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

C18H16ClN5O4 — CID 155567855

IUPAC5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
InChIInChI=1S/C18H16ClN5O4/c1-2-24-6-5-20-15(24)18(16(26)22-17(27)23-18)9-21-14(25)13-8-10-7-11(19)3-4-12(10)28-13/h3-8H,2,9H2,1H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1
InChIKeyAONLPKICQLHFDZ-SFHVURJKSA-N
MW401.81 g/mol
LogP1.77
Rot. Bonds5

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

5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 155567855) has the molecular formula C18H16ClN5O4 and a molecular weight of 401.81 g/mol. Its IUPAC name is 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID155567855
Molecular FormulaC18H16ClN5O4
Molecular Weight401.81 g/mol
Exact Mass401.09
IUPAC Name5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
InChIInChI=1S/C18H16ClN5O4/c1-2-24-6-5-20-15(24)18(16(26)22-17(27)23-18)9-21-14(25)13-8-10-7-11(19)3-4-12(10)28-13/h3-8H,2,9H2,1H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1
InChIKeyAONLPKICQLHFDZ-SFHVURJKSA-N
XLogP1.77
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 51.77
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-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 155567855) is 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O.
What is the InChIKey of 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is AONLPKICQLHFDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16ClN5O4/c1-2-24-6-5-20-15(24)18(16(26)22-17(27)23-18)9-21-14(25)13-8-10-7-11(19)3-4-12(10)28-13/h3-8H,2,9H2,1H3,(H,21,25)(H2,22,23,26,27)/t18-/m0/s1.
What are the key properties of 5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 401.81 g/mol, XLogP of 1.77, 5 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-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155567855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).