(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide

C15H17N3O4 — CID 97088240

IUPAC(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CNC(=O)N3)oc12
InChIInChI=1S/C15H17N3O4/c1-8(17-14(19)10-7-16-15(20)18-10)12-6-9-4-3-5-11(21-2)13(9)22-12/h3-6,8,10H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/t8-,10+/m1/s1
InChIKeyQGAGGSXZRQATNI-SCZZXKLOSA-N
MW303.32 g/mol
LogP1.30
Rot. Bonds4

About (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97088240) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97088240
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CNC(=O)N3)oc12
InChIInChI=1S/C15H17N3O4/c1-8(17-14(19)10-7-16-15(20)18-10)12-6-9-4-3-5-11(21-2)13(9)22-12/h3-6,8,10H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/t8-,10+/m1/s1
InChIKeyQGAGGSXZRQATNI-SCZZXKLOSA-N
XLogP1.30
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide (CID 97088240) is (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide is COc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CNC(=O)N3)oc12.
What is the InChIKey of (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QGAGGSXZRQATNI-SCZZXKLOSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8(17-14(19)10-7-16-15(20)18-10)12-6-9-4-3-5-11(21-2)13(9)22-12/h3-6,8,10H,7H2,1-2H3,(H,17,19)(H2,16,18,20)/t8-,10+/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97088240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).