(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one

C19H19N3OS — CID 95123811

IUPAC(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one
SMILESCN1C[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccsc2)CC1=O
InChIInChI=1S/C19H19N3OS/c1-21-10-14(9-17(21)23)11-22-13-20-18(15-5-3-2-4-6-15)19(22)16-7-8-24-12-16/h2-8,12-14H,9-11H2,1H3/t14-/m0/s1
InChIKeyCQQGAOFQHMKUKK-AWEZNQCLSA-N
MW337.45 g/mol
LogP3.76
Rot. Bonds4

About (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one

(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 95123811) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one
PubChem CID95123811
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one
SMILESCN1C[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccsc2)CC1=O
InChIInChI=1S/C19H19N3OS/c1-21-10-14(9-17(21)23)11-22-13-20-18(15-5-3-2-4-6-15)19(22)16-7-8-24-12-16/h2-8,12-14H,9-11H2,1H3/t14-/m0/s1
InChIKeyCQQGAOFQHMKUKK-AWEZNQCLSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 45237233
(3-methyl-2-thienyl)[2-phenyl-6,7-dihydroimidazo[1,2-a]pyrimidin-8(5H)-yl]methanone
CID 53183315
1-[2-(2-Fluorophenyl)-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL]-2-(thiophen-2-YL)ethan-1-one
CID 53183371
1-[2-(2-Fluorophenyl)-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL]-2-(thiophen-3-YL)ethan-1-one
CID 53183373
2-(4-fluorophenyl)-N-(2-(1-methyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)ethyl)acetamide
CID 71797189
2-Phenyl-8-(thiophene-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-A]pyrimidine
CID 53183321
2-{6-phenylimidazo[2,1-b][1,3]thiazol-3-yl}-N,N-dipropylacetamide
CID 7522359
4-(1-methyl-1H-benzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 23607611
1-methyl-4-{2-[4-phenyl-5-(3-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-4-ol
CID 50978286
1-{2-Phenyl-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53183314
1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-3-ylethanone
CID 53183316
N~6~-Phenethyl-3-(3-thienyl)-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6-carboxamide
CID 91924430

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one (CID 95123811) is (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one is CN1C[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccsc2)CC1=O.
What is the InChIKey of (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is CQQGAOFQHMKUKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-21-10-14(9-17(21)23)11-22-13-20-18(15-5-3-2-4-6-15)19(22)16-7-8-24-12-16/h2-8,12-14H,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one?
(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 337.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 95123811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).