(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one

C18H19ClN4O — CID 56844262

IUPAC(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)NC1N
InChIInChI=1S/C18H19ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13,17,22H,5-6,20H2,1H3/t17?,18-/m1/s1
InChIKeyPLZORNNQDRQAMW-QRWMCTBCSA-N
MW342.83 g/mol
LogP2.31
Rot. Bonds3

About (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one

(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one (PubChem CID 56844262) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one
PubChem CID56844262
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)NC1N
InChIInChI=1S/C18H19ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13,17,22H,5-6,20H2,1H3/t17?,18-/m1/s1
InChIKeyPLZORNNQDRQAMW-QRWMCTBCSA-N
XLogP2.31
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[3-(5-chloro-3-pyridinyl)phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 162172789
(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
CID 53346497
(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
CID 89116031
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one
CID 59387465
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cyclopentyl-5-cyclopropylimidazol-4-one
CID 59388528
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one
CID 45114308
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 59262567
(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-4'-one
CID 71299348
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
CID 59262347
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-2-ylimidazol-4-one
CID 59388662
2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 68699312
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one?
The IUPAC name of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one (CID 56844262) is (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one.
What is the SMILES notation for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one?
The canonical SMILES for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one is CN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)NC1N.
What is the InChIKey of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one?
The InChIKey is PLZORNNQDRQAMW-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13,17,22H,5-6,20H2,1H3/t17?,18-/m1/s1.
What are the key properties of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one?
(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one has a molecular weight of 342.83 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 56844262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).