(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one

C21H20N2O — CID 135069650

IUPAC(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one
SMILESCN1C[C@@H](Cc2ccc3ccccc3c2)N(c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O/c1-22-15-20(23(21(22)24)19-9-3-2-4-10-19)14-16-11-12-17-7-5-6-8-18(17)13-16/h2-13,20H,14-15H2,1H3/t20-/m1/s1
InChIKeyUBLDEZSTSLQJCE-HXUWFJFHSA-N
MW316.40 g/mol
LogP4.32
Rot. Bonds3

About (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one

(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one (PubChem CID 135069650) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one
PubChem CID135069650
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one
SMILESCN1C[C@@H](Cc2ccc3ccccc3c2)N(c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O/c1-22-15-20(23(21(22)24)19-9-3-2-4-10-19)14-16-11-12-17-7-5-6-8-18(17)13-16/h2-13,20H,14-15H2,1H3/t20-/m1/s1
InChIKeyUBLDEZSTSLQJCE-HXUWFJFHSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one (CID 135069650) is (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one is CN1C[C@@H](Cc2ccc3ccccc3c2)N(c2ccccc2)C1=O.
What is the InChIKey of (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one?
The InChIKey is UBLDEZSTSLQJCE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O/c1-22-15-20(23(21(22)24)19-9-3-2-4-10-19)14-16-11-12-17-7-5-6-8-18(17)13-16/h2-13,20H,14-15H2,1H3/t20-/m1/s1.
What are the key properties of (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one?
(4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 135069650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).