[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol

C19H27FN4O — CID 128995371

IUPAC[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccn1C
InChIInChI=1S/C19H27FN4O/c1-22(10-15-3-5-16(14-25)6-4-15)12-18-9-17(20)11-24(18)13-19-21-7-8-23(19)2/h3-8,17-18,25H,9-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyMFZBEDDLPRTYCM-ROUUACIJSA-N
MW346.45 g/mol
LogP1.96
Rot. Bonds7

About [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol

[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol (PubChem CID 128995371) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol
PubChem CID128995371
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccn1C
InChIInChI=1S/C19H27FN4O/c1-22(10-15-3-5-16(14-25)6-4-15)12-18-9-17(20)11-24(18)13-19-21-7-8-23(19)2/h3-8,17-18,25H,9-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyMFZBEDDLPRTYCM-ROUUACIJSA-N
XLogP1.96
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 128995248
1-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-4-ylurea
CID 128994381
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
CID 128995009
(1S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129474918
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 128994444
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 128995010
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
CID 128974126
1-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-3-yl)urea
CID 128994433
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 154743465
(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129475600
1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 128971385
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128966835

Frequently Asked Questions

What is the IUPAC name of [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol (CID 128995371) is [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol is CN(Cc1ccc(CO)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccn1C.
What is the InChIKey of [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol?
The InChIKey is MFZBEDDLPRTYCM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-22(10-15-3-5-16(14-25)6-4-15)12-18-9-17(20)11-24(18)13-19-21-7-8-23(19)2/h3-8,17-18,25H,9-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol?
[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol has a molecular weight of 346.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 128995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).