(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one

C18H23N3O2 — CID 11266994

IUPAC(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one
SMILESCC[C@H]1NC(=O)N(Cc2ccccc2OC)[C@H]1c1cccn1C
InChIInChI=1S/C18H23N3O2/c1-4-14-17(15-9-7-11-20(15)2)21(18(22)19-14)12-13-8-5-6-10-16(13)23-3/h5-11,14,17H,4,12H2,1-3H3,(H,19,22)/t14-,17-/m1/s1
InChIKeyRRQMHDAKEFKNDR-RHSMWYFYSA-N
MW313.40 g/mol
LogP3.08
Rot. Bonds5

About (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one

(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one (PubChem CID 11266994) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one
PubChem CID11266994
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one
SMILESCC[C@H]1NC(=O)N(Cc2ccccc2OC)[C@H]1c1cccn1C
InChIInChI=1S/C18H23N3O2/c1-4-14-17(15-9-7-11-20(15)2)21(18(22)19-14)12-13-8-5-6-10-16(13)23-3/h5-11,14,17H,4,12H2,1-3H3,(H,19,22)/t14-,17-/m1/s1
InChIKeyRRQMHDAKEFKNDR-RHSMWYFYSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one (CID 11266994) is (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one is CC[C@H]1NC(=O)N(Cc2ccccc2OC)[C@H]1c1cccn1C.
What is the InChIKey of (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one?
The InChIKey is RRQMHDAKEFKNDR-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-14-17(15-9-7-11-20(15)2)21(18(22)19-14)12-13-8-5-6-10-16(13)23-3/h5-11,14,17H,4,12H2,1-3H3,(H,19,22)/t14-,17-/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one?
(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 11266994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).