5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C15H14FN5O4S — CID 146024832

IUPAC5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c(=O)[nH]1
InChIInChI=1S/C15H14FN5O4S/c16-8-3-4-9-10(6-8)19-13(18-9)11-2-1-5-21(11)26(24,25)12-7-17-15(23)20-14(12)22/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H2,17,20,22,23)
InChIKeyOEJMKUVCWMWJKN-UHFFFAOYSA-N
MW379.37 g/mol
LogP0.60
Rot. Bonds3

About 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 146024832) has the molecular formula C15H14FN5O4S and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID146024832
Molecular FormulaC15H14FN5O4S
Molecular Weight379.37 g/mol
Exact Mass379.08
IUPAC Name5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c(=O)[nH]1
InChIInChI=1S/C15H14FN5O4S/c16-8-3-4-9-10(6-8)19-13(18-9)11-2-1-5-21(11)26(24,25)12-7-17-15(23)20-14(12)22/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H2,17,20,22,23)
InChIKeyOEJMKUVCWMWJKN-UHFFFAOYSA-N
XLogP0.60
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95861367
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 95712652
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 146024720
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carbaldehyde
CID 55258153
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95868023
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 95888888

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 146024832) is 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(S(=O)(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is OEJMKUVCWMWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O4S/c16-8-3-4-9-10(6-8)19-13(18-9)11-2-1-5-21(11)26(24,25)12-7-17-15(23)20-14(12)22/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H2,17,20,22,23).
What are the key properties of 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 379.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146024832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).