[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

C15H19F2N3O — CID 128986804

IUPAC[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESCCn1c(CN2C[C@@H](F)C[C@H]2CO)nc2c(F)cccc21
InChIInChI=1S/C15H19F2N3O/c1-2-20-13-5-3-4-12(17)15(13)18-14(20)8-19-7-10(16)6-11(19)9-21/h3-5,10-11,21H,2,6-9H2,1H3/t10-,11-/m0/s1
InChIKeyHLFSSSZXDIWCDD-QWRGUYRKSA-N
MW295.33 g/mol
LogP2.10
Rot. Bonds4

About [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128986804) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128986804
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESCCn1c(CN2C[C@@H](F)C[C@H]2CO)nc2c(F)cccc21
InChIInChI=1S/C15H19F2N3O/c1-2-20-13-5-3-4-12(17)15(13)18-14(20)8-19-7-10(16)6-11(19)9-21/h3-5,10-11,21H,2,6-9H2,1H3/t10-,11-/m0/s1
InChIKeyHLFSSSZXDIWCDD-QWRGUYRKSA-N
XLogP2.10
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol with MolForge

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Related Compounds

2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 96516180
methyl 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 86807022
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121128
(3S,4R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760438
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 95309988
[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 167952495
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
CID 62826190
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 128986804) is [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is CCn1c(CN2C[C@@H](F)C[C@H]2CO)nc2c(F)cccc21.
What is the InChIKey of [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is HLFSSSZXDIWCDD-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-2-20-13-5-3-4-12(17)15(13)18-14(20)8-19-7-10(16)6-11(19)9-21/h3-5,10-11,21H,2,6-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 295.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128986804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).