2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

C19H20FN5O2 — CID 124892627

IUPAC2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyUGFIIHNECVAUSW-CYBMUJFWSA-N
MW369.40 g/mol
LogP2.21
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 124892627) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID124892627
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyUGFIIHNECVAUSW-CYBMUJFWSA-N
XLogP2.21
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide
CID 1469516
N,N-dimethyl-2-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]piperidin-1-yl]acetamide
CID 57393573
8-(3-fluoro-4-methoxyphenoxy)-9-methyl-6-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}-9H-purine
CID 90166887
US10150728, Example I-694
CID 122497799
US10150728, Example I-641
CID 122498105
2-(1H-benzimidazol-1-yl)-1-[(4-fluorophenoxy)methyl]ethyl acetate
CID 2945622
US10150728, Example I-592
CID 122498094
2-(1H-benzo[d]imidazol-1-yl)-1-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71798695
2-(3,4-Difluorophenoxy)-1-[3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 71835945
2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
CID 75410619
methyl 1-(2-(1H-benzo[d]imidazol-1-yl)acetyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 76149043
2-(3,4-Difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 83275805

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (CID 124892627) is 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is UGFIIHNECVAUSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 369.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124892627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).