5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide

C19H15ClN4O4 — CID 118722687

IUPAC5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
InChIInChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
InChIKeyWIKRDIGSYVQGTH-IBGZPJMESA-N
MW398.81 g/mol
LogP2.25
Rot. Bonds4

About 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 118722687) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID118722687
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
InChIInChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
InChIKeyWIKRDIGSYVQGTH-IBGZPJMESA-N
XLogP2.25
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 118722687) is 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O.
What is the InChIKey of 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WIKRDIGSYVQGTH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 398.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).