6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one

C22H18FN5O2 — CID 146024712

IUPAC6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H18FN5O2/c23-14-8-9-16-18(13-14)25-21(24-16)19-7-4-12-27(19)22(30)17-10-11-20(29)28(26-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,24,25)
InChIKeyKBWICSOKUGUSDL-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.23
Rot. Bonds3

About 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one

6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 146024712) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID146024712
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H18FN5O2/c23-14-8-9-16-18(13-14)25-21(24-16)19-7-4-12-27(19)22(30)17-10-11-20(29)28(26-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,24,25)
InChIKeyKBWICSOKUGUSDL-UHFFFAOYSA-N
XLogP3.23
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42289532
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 95888888
6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 97071722
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95868023
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42097087
6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 146024720
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one (CID 146024712) is 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one is O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is KBWICSOKUGUSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-14-8-9-16-18(13-14)25-21(24-16)19-7-4-12-27(19)22(30)17-10-11-20(29)28(26-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,24,25).
What are the key properties of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 403.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 146024712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).