1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

C18H15F2N3O2 — CID 129352067

IUPAC1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]cnc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O2/c19-13-5-4-10(6-14(13)20)16-7-11(24)8-23(16)18(25)12-2-1-3-15-17(12)22-9-21-15/h1-6,9,11,16,24H,7-8H2,(H,21,22)/t11-,16+/m0/s1
InChIKeyDVBKMKJGKUAIKA-MEDUHNTESA-N
MW343.33 g/mol
LogP2.79
Rot. Bonds2

About 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 129352067) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID129352067
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]cnc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O2/c19-13-5-4-10(6-14(13)20)16-7-11(24)8-23(16)18(25)12-2-1-3-15-17(12)22-9-21-15/h1-6,9,11,16,24H,7-8H2,(H,21,22)/t11-,16+/m0/s1
InChIKeyDVBKMKJGKUAIKA-MEDUHNTESA-N
XLogP2.79
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1H-benzimidazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352241
1-[(2S,4R)-1-(1H-benzimidazole-4-carbonyl)-4-hydroxypyrrolidin-2-yl]-3-(4-chlorophenyl)propan-1-one
CID 159636661
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346048
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346049
5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346047
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
CID 129351327
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
CID 100671336
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
4-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 100675776

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 129352067) is 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(c1cccc2[nH]cnc12)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is DVBKMKJGKUAIKA-MEDUHNTESA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-13-5-4-10(6-14(13)20)16-7-11(24)8-23(16)18(25)12-2-1-3-15-17(12)22-9-21-15/h1-6,9,11,16,24H,7-8H2,(H,21,22)/t11-,16+/m0/s1.
What are the key properties of 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 343.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-4-yl-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129352067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).