(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C19H22FN3O3 — CID 35852455

IUPAC(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1[C@@H](NC[C@@H](O)COCc1ccco1)c1ccccc1F
InChIInChI=1S/C19H22FN3O3/c1-23-9-8-21-19(23)18(16-6-2-3-7-17(16)20)22-11-14(24)12-25-13-15-5-4-10-26-15/h2-10,14,18,22,24H,11-13H2,1H3/t14-,18+/m1/s1
InChIKeyDPWASUDCZLTOSX-KDOFPFPSSA-N
MW359.40 g/mol
LogP2.41
Rot. Bonds9

About (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 35852455) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID35852455
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1[C@@H](NC[C@@H](O)COCc1ccco1)c1ccccc1F
InChIInChI=1S/C19H22FN3O3/c1-23-9-8-21-19(23)18(16-6-2-3-7-17(16)20)22-11-14(24)12-25-13-15-5-4-10-26-15/h2-10,14,18,22,24H,11-13H2,1H3/t14-,18+/m1/s1
InChIKeyDPWASUDCZLTOSX-KDOFPFPSSA-N
XLogP2.41
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 166435620
1-[(4-chlorophenyl)methoxy]-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138961365
1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
CID 107151567
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109411210
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 92854436
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 35852455) is (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is Cn1ccnc1[C@@H](NC[C@@H](O)COCc1ccco1)c1ccccc1F.
What is the InChIKey of (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is DPWASUDCZLTOSX-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-23-9-8-21-19(23)18(16-6-2-3-7-17(16)20)22-11-14(24)12-25-13-15-5-4-10-26-15/h2-10,14,18,22,24H,11-13H2,1H3/t14-,18+/m1/s1.
What are the key properties of (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 359.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 35852455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).