(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol

C22H27N3O3 — CID 129455433

IUPAC(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol
SMILESCN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-24(15-19(26)16-27-20-6-4-3-5-7-20)14-18-8-10-21(11-9-18)28-17-22-23-12-13-25(22)2/h3-13,19,26H,14-17H2,1-2H3/t19-/m0/s1
InChIKeyIICXXMHWJUPQTL-IBGZPJMESA-N
MW381.48 g/mol
LogP2.87
Rot. Bonds10

About (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol

(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 129455433) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol
PubChem CID129455433
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol
SMILESCN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-24(15-19(26)16-27-20-6-4-3-5-7-20)14-18-8-10-21(11-9-18)28-17-22-23-12-13-25(22)2/h3-13,19,26H,14-17H2,1-2H3/t19-/m0/s1
InChIKeyIICXXMHWJUPQTL-IBGZPJMESA-N
XLogP2.87
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129458634
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[benzyl(methyl)amino]-3-[4-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45241369
1-[benzyl(methyl)amino]-3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45249777
1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110898444
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol (CID 129455433) is (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol is CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is IICXXMHWJUPQTL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(15-19(26)16-27-20-6-4-3-5-7-20)14-18-8-10-21(11-9-18)28-17-22-23-12-13-25(22)2/h3-13,19,26H,14-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol?
(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 129455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).